Engineering › Electrical and Electronic Engineering

Chalcogenide Semiconductor Thin Films

Works Count: 91059

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This cluster of papers focuses on the advancements in thin-film solar cell technology, particularly on materials such as CZTS and Kesterite, aiming to improve efficiency and device characteristics. It covers topics such as semiconductor properties, materials modelling, and the use of nanocrystals in thin-film solar cells.

Keywords

Thin-Film Solar Cells; Efficiency; CZTS; Kesterite; Photovoltaics; Semiconductor; Device Characteristics; Materials Modelling; Nanocrystals; Solar Cell Efficiency

Materials and processes in manufacturing

1998-01-01

E P DeGarmo

Ternary Chalcopyrite Semiconductors: Growth, Electronic Properties, and Applications

1976-05-01

J. L. Queisser , J. H. Wernick , A. L. Fripp

Thin-film Sb2Se3 photovoltaics with oriented one-dimensional ribbons and benign grain boundaries

2015-05-18

Ying Zhou , Liang Wang , Shiyou Chen +7 more

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Properties of Cu(In,Ga)Se2 solar cells with new record efficiencies up to 21.7%

2014-12-23

Philip Jackson , Dimitrios Hariskos , Roland Wüerz +4 more

We report on a new thin-film Cu(In,Ga)Se2 (CIGS) solar cell record efficiency of 21.7%. In order to better understand this newest development, we describe the specific solar cell data as … We report on a new thin-film Cu(In,Ga)Se2 (CIGS) solar cell record efficiency of 21.7%. In order to better understand this newest development, we describe the specific solar cell data as obtained from I–V measurement and diode analysis, quantum efficiency and secondary neutral mass spectrometry measurements. We hope that such a description will help to exploit the potential of this promising thin-film solar technology even further. (© 2015 WILEY-VCH Verlag GmbH &Co. KGaA, Weinheim)

Solar cells—Operating principles, technology and system applications

1982-01-01

Martin A. Green

Thin film solar cell with 8.4% power conversion efficiency using an earth‐abundant Cu2ZnSnS4 absorber

2011-11-02

Byungha Shin , Oki Gunawan , Yu Zhu +3 more

ABSTRACT Using vacuum process, we fabricated Cu 2 ZnSnS 4 solar cells with 8.4% efficiency, a number independently certified by an external, accredited laboratory. This is the highest efficiency reported … ABSTRACT Using vacuum process, we fabricated Cu 2 ZnSnS 4 solar cells with 8.4% efficiency, a number independently certified by an external, accredited laboratory. This is the highest efficiency reported for pure sulfide Cu 2 ZnSnS 4 prepared by any method. Consistent with literature, the optimal composition is Cu‐poor and Zn‐rich despite the precipitation of secondary phases (e.g., ZnS). Despite a very thin absorber thickness (~600 nm), a reasonably good short‐circuit current was obtained. Time‐resolved photoluminescence measurements suggest a minority carrier‐diffusion length on the order of several hundreds of nanometers and relatively good collection of photo‐carriers across the entire absorber thickness. Copyright © 2011 John Wiley & Sons, Ltd.

Electrical and Optical Properties of Stannite-Type Quaternary Semiconductor Thin Films

1988-11-01

Kentaro Ito Nakazawa

Quaternary stannite-type semiconductor films of Cu 2 CdSnS 4 and Cu 2 ZnSnS 4 with (112) orientation were deposited on heated glass substrates using atom beam sputtering. These p-type films … Quaternary stannite-type semiconductor films of Cu 2 CdSnS 4 and Cu 2 ZnSnS 4 with (112) orientation were deposited on heated glass substrates using atom beam sputtering. These p-type films showed resistivities which were decreasing functions of the substrate temperature up to 240°C. The films had an absorption coefficient larger than 1 × 10 4 cm -1 in the visible wavelength range. The direct optical band gaps of the (112) oriented polycrystalline films were estimated as 1.06 eV and 1.45 eV for Cu 2 CdSnS 4 and Cu 2 ZnSnS 4 , respectively.

Properties of 19.2% efficiency ZnO/CdS/CuInGaSe2 thin‐film solar cells

2003-05-23

K. Ramanathan , Miguel Á. Contreras , Craig L. Perkins +7 more

Abstract We report the growth and characterization of record‐efficiency ZnO/CdS/CuInGaSe 2 thin‐film solar cells. Conversion efficiencies exceeding 19% have been achieved for the first time, and this result indicates that … Abstract We report the growth and characterization of record‐efficiency ZnO/CdS/CuInGaSe 2 thin‐film solar cells. Conversion efficiencies exceeding 19% have been achieved for the first time, and this result indicates that the 20% goal is within reach. Details of the experimental procedures are provided, and material and device characterization data are presented. Published in 2003 by John Wiley & Sons, Ltd.

Device Characteristics of CZTSSe Thin‐Film Solar Cells with 12.6% Efficiency

2013-11-27

Wei Wang , Mark T. Winkler , Oki Gunawan +4 more

A 12.6% Cu2ZnSnSxSe4–x (CZTSSe) solar cell is presented with detailed device characteristics. Both short-circuit current density (Jsc) and open circuit voltage (Voc) increase in the 12.6% champion, relative to previous … A 12.6% Cu2ZnSnSxSe4–x (CZTSSe) solar cell is presented with detailed device characteristics. Both short-circuit current density (Jsc) and open circuit voltage (Voc) increase in the 12.6% champion, relative to previous devices, due to better bulk CZTSSe quality and improved optical architecture. The reduction in Voc deficit shows opportunities to push CZTSSe solar cells to higher efficiency.

Total valence-band densities of states of III-V and II-VI compounds from x-ray photoemission spectroscopy

1974-01-15

L. Ley , R. A. Pollak , F. R. McFeely +2 more

A comprehensive survey of the total valence-band x-ray-photoemission spectra of 14 semiconductors is reported. The x-ray photoelectron spectra of cubic GaP, GaAs, GaSb, InP, InAs, InSb, ZnS, ZnSe, ZnTe, CdTe, … A comprehensive survey of the total valence-band x-ray-photoemission spectra of 14 semiconductors is reported. The x-ray photoelectron spectra of cubic GaP, GaAs, GaSb, InP, InAs, InSb, ZnS, ZnSe, ZnTe, CdTe, and HgTe, and of hexagonal ZnO, CdS, and CdSe were obtained from freshly cleaved single crystals, in the 0-50-eV binding-energy range, using monochromatized $\mathrm{Al} K\ensuremath{\alpha}$ (1486.6 eV) radiation. The binding energies of the outermost $d$ shells are reported. They were determined relative both to the top of the valence bands (${E}_{B}^{V}$) and to the Fermi level of a thin layer of gold that was vapor deposited after each run (${E}_{B}^{F}$). These data also yielded accurate measures of sample charging. The Fermi level fell near the center of the gap for six samples, near the top for two, and near the bottom for three. Evidence for an apparent increase in core $d$-level spin-orbit splitting over free-atom values was interpreted as a possible spreading of a ${\ensuremath{\Gamma}}_{7}$ and a ${\ensuremath{\Gamma}}_{8}$ level from the upper $({d}_{\frac{3}{2}}) {\ensuremath{\Gamma}}_{8}$ level by a tetrahedral crystal field. The $s$, $p$ valence-band spectra showed three main peaks, with considerable structure on the "least-bound" peak. A discussion is given of the validity of comparing the valence-band (VB) spectrum ${I}^{\ensuremath{'}}(E)$ with the VB density of states, including cross-section modulation, final-state modulation, and relaxation effects. Characteristic binding energies of spectral features in ${I}^{\ensuremath{'}}(E)$ are tabulated. In addition, the energies of the characteristic symmetry points ${L}_{3}$, ${X}_{5}$, ${W}_{2}$, ${\ensuremath{\Sigma}}_{1}^{min}$, ${W}_{1}$, ${X}_{3}({L}_{1})$, ${X}_{1}$, ${L}_{1}$, and ${\ensuremath{\Gamma}}_{1}$ are given for the 11 cubic compounds. These are compared with UPS results where available and with theoretical band-structure results where available. The energies calculated using the relativistic-orthogonalized-plane-wave approach with ${X}_{\ensuremath{\alpha}\ensuremath{\beta}}$ exchange agree very well with experiment, on the whole. In particular, they predict the important "ionicity gap" ${X}_{3}\ensuremath{-}{X}_{1}$ quite accurately. The densities of states calculated using the empirical-psuedopotential method provided a useful basis for relating features in ${I}^{\ensuremath{'}}(E)$ to energies of the characteristic symmetry points. Band-structure calculations in combination with x-ray-photoemission spectra appear to provide a very powerful approach to establishing the total valence-band structure of semiconductors.

Thin-film CdS/CdTe solar cell with 15.8% efficiency

1993-05-31

J. Britt , Chris Ferekides

This letter describes the fabrication and characteristics of high-efficiency thin-film CdS/CdTe heterojunction solar cells. CdS films have been prepared by chemical bath deposition and p-CdTe films have been deposited by … This letter describes the fabrication and characteristics of high-efficiency thin-film CdS/CdTe heterojunction solar cells. CdS films have been prepared by chemical bath deposition and p-CdTe films have been deposited by close-spaced sublimation. A CdS/CdTe solar cell of greater than 1 cm2 area with an AM1.5 efficiency of 15.8% is reported.

Theory of the band-gap anomaly in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>AB</mml:mi><mml:mrow><mml:msub><mml:mrow><mml:mi>C</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>chalcopyrite semiconductors

1984-02-15

John E. Jaffe , Alex Zunger

Using self-consistent band-structure methods, we analyze the remarkable anomalies (>50%) in the energy-band gaps of the ternary $\mathrm{I}B\ensuremath{-}\mathrm{I}\mathrm{I}\mathrm{I}A\ensuremath{-}\mathrm{V}\mathrm{I}{A}_{2}$ chalcopyrite semiconductors (e.g., CuGa${\mathrm{S}}_{2}$) relative to their binary zinc-blende analogs $\mathrm{II}B\ensuremath{-}\mathrm{V}\mathrm{I}A$ (e.g., … Using self-consistent band-structure methods, we analyze the remarkable anomalies (>50%) in the energy-band gaps of the ternary $\mathrm{I}B\ensuremath{-}\mathrm{I}\mathrm{I}\mathrm{I}A\ensuremath{-}\mathrm{V}\mathrm{I}{A}_{2}$ chalcopyrite semiconductors (e.g., CuGa${\mathrm{S}}_{2}$) relative to their binary zinc-blende analogs $\mathrm{II}B\ensuremath{-}\mathrm{V}\mathrm{I}A$ (e.g., ZnS), in terms of a chemical factor $\ensuremath{\Delta}{E}_{g}^{\mathrm{chem}}$ and a structural factor $\ensuremath{\Delta}{E}_{g}^{S}$. We show that $\ensuremath{\Delta}{E}_{g}^{\mathrm{chem}}$ is controlled by a $p\ensuremath{-}d$ hybridization effect $\ensuremath{\Delta}{E}_{g}^{d}$ and by a cation electronegativity effect $D{E}_{g}^{\mathrm{CE}}$, whereas the structural contribution to the anomaly is controlled by the existence of bond alternation (${R}_{\mathrm{AC}}\ensuremath{\ne}{R}_{\mathrm{BC}}$) in the ternary system, manifested by nonideal anion displacements $u\ensuremath{-}\frac{1}{4}\ensuremath{\ne}0$. All contributions are calculated self-consistently from band-structure theory, and are in good agreement with experiment. We further show how the nonideal anion displacement and the cubic lattice constants of all ternary chalcopyrites can be obtained from elemental coordinates (atomic radii) without using ternary-compound experimental data. This establishes a relationship between the electronic anomalies and the atomic sizes in these systems.

Development of CZTS-based thin film solar cells

2008-11-09

Hironori Katagiri , Kazuo Jimbo , Win Shwe Maw +4 more

Modelling polycrystalline semiconductor solar cells

2000-02-01

Marc Burgelman , Peter Nollet , S. Degrave

Semiconductor crystallites: a class of large molecules

1990-06-01

Michael L. Steigerwald , Louis E. Brus

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSemiconductor crystallites: a class of large moleculesMichael L. Steigerwald and Louis E. BrusCite this: Acc. Chem. Res. 1990, 23, 6, 183–188Publication Date (Print):June 1, 1990Publication History Published … ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSemiconductor crystallites: a class of large moleculesMichael L. Steigerwald and Louis E. BrusCite this: Acc. Chem. Res. 1990, 23, 6, 183–188Publication Date (Print):June 1, 1990Publication History Published online1 May 2002Published inissue 1 June 1990https://pubs.acs.org/doi/10.1021/ar00174a003https://doi.org/10.1021/ar00174a003research-articleACS PublicationsRequest reuse permissionsArticle Views3727Altmetric-Citations848LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts

The path towards a high-performance solution-processed kesterite solar cell

2011-01-18

David B. Mitzi , Oki Gunawan , Teodor K. Todorov +2 more

Synthesis of CuInS2, CuInSe2, and Cu(InxGa1-x)Se2 (CIGS) Nanocrystal “Inks” for Printable Photovoltaics

2008-11-17

Matthew G. Panthani , Vahid A. Akhavan , Brian W. Goodfellow +5 more

Chalcopyrite copper indium sulfide (CuInS2) and copper indium gallium selenide (Cu(InxGa1-x)Se2; CIGS) nanocrystals ranging from ∼5 to ∼25 nm in diameter were synthesized by arrested precipitation in solution. The In/Ga … Chalcopyrite copper indium sulfide (CuInS2) and copper indium gallium selenide (Cu(InxGa1-x)Se2; CIGS) nanocrystals ranging from ∼5 to ∼25 nm in diameter were synthesized by arrested precipitation in solution. The In/Ga ratio in the CIGS nanocrystals could be controlled by varying the In/Ga reactant ratio in the reaction, and the optical properties of the CuInS2 and CIGS nanocrystals correspond to those of the respective bulk materials. Using methods developed to produce uniform, crack-free micrometer-thick films, CuInSe2 nanocrystals were tested in prototype photovoltaic devices. As a proof-of-concept, the nanocrystal-based devices exhibited a reproducible photovoltaic response.

New world record efficiency for Cu(In,Ga)Se2 thin‐film solar cells beyond 20%

2011-01-05

Philip Jackson , Dimitrios Hariskos , E. Lotter +5 more

Abstract In this contribution, we present a new certified world record efficiency of 20.1 and 20.3% for Cu(In,Ga)Se 2 thin‐film solar cells. We analyse the characteristics of solar cells on … Abstract In this contribution, we present a new certified world record efficiency of 20.1 and 20.3% for Cu(In,Ga)Se 2 thin‐film solar cells. We analyse the characteristics of solar cells on such a performance level and demonstrate a high degree of reproducibility. Copyright © 2011 John Wiley & Sons, Ltd.

Thin‐film solar cells: device measurements and analysis

2004-03-01

Steven Hegedus , William N. Shafarman

Abstract Characterization of amorphous Si, CdTe, and Cu(InGa)Se 2 ‐based thin‐film solar cells is described with focus on the deviations in device behavior from standard device models. Quantum efficiency (QE), … Abstract Characterization of amorphous Si, CdTe, and Cu(InGa)Se 2 ‐based thin‐film solar cells is described with focus on the deviations in device behavior from standard device models. Quantum efficiency (QE), current–voltage ( J – V ), and admittance measurements are reviewed with regard to aspects of interpretation unique to the thin‐film solar cells. In each case, methods are presented for characterizing parasitic effects common in these solar cells in order to identify loss mechanisms and reveal fundamental device properties. Differences between these thin‐film solar cells and idealized devices are largely due to a high density of defect states in the absorbing layers and to parasitic losses due to the device structure and contacts. There is also commonly a voltage‐dependent photocurrent collection which affects J – V and QE measurements. The voltage and light bias dependence of these measurements can be used to diagnose specific losses. Examples of how these losses impact the QE, J – V , and admittance characterization are shown for each type of solar cell. Copyright © 2004 John Wiley & Sons, Ltd.

Progress toward 20% efficiency in Cu(In,Ga)Se2 polycrystalline thin-film solar cells

1999-07-01

Miguel Á. Contreras , Brian Egaas , K. Ramanathan +4 more

This short communication reports on achieving 18·8% total-area conversion efficiency for a ZnO/CdS/Cu(In,Ga)Se2/Mo polycrystalline thin-film solar cell. We also report a 15%-efficient, Cd-free device fabricated via physical vapor deposition methods. … This short communication reports on achieving 18·8% total-area conversion efficiency for a ZnO/CdS/Cu(In,Ga)Se2/Mo polycrystalline thin-film solar cell. We also report a 15%-efficient, Cd-free device fabricated via physical vapor deposition methods. The Cd-free cell includes no buffer layer, and it is fabricated by direct deposition of ZnO on the Cu(In,Ga)Se2 thin-film absorber. Both results have been measured at the National Renewable Energy Laboratory under standard reporting conditions (1000 W/m2, 25°C, ASTM E 892 Global). The 18·8% conversion efficiency represents a new record for such devices (Notable Exceptions) and makes the 20% performance level by thin-film polycrystalline materials much closer to reality. We allude to the enhancement in performance of such cells as compared to previous record cells, and we discuss possible and realistic routes to enhance the performance toward the 20% efficiency level. Published in 1999 by John Wiley & Sons, Ltd. This article is a US government work and is in the public domain in the United States.

Nanostructured metal chalcogenides: synthesis, modification, and applications in energy conversion and storage devices

2013-01-01

Min‐Rui Gao , Yun‐Fei Xu , Jun Jiang +1 more

Advanced energy conversion and storage (ECS) devices (including fuel cells, photoelectrochemical water splitting cells, solar cells, Li-ion batteries and supercapacitors) are expected to play a major role in the development … Advanced energy conversion and storage (ECS) devices (including fuel cells, photoelectrochemical water splitting cells, solar cells, Li-ion batteries and supercapacitors) are expected to play a major role in the development of sustainable technologies that alleviate the energy and environmental challenges we are currently facing. The successful utilization of ECS devices depends critically on synthesizing new nanomaterials with merits of low cost, high efficiency, and outstanding properties. Recent progress has demonstrated that nanostructured metal chalcogenides (MCs) are very promising candidates for efficient ECS systems based on their unique physical and chemical properties, such as conductivity, mechanical and thermal stability and cyclability. In this review, we aim to provide a summary on the liquid-phase synthesis, modifications, and energy-related applications of nanostructured metal chalcogenide (MC) materials. The liquid-phase syntheses of various MC nanomaterials are primarily categorized with the preparation method (mainly 15 kinds of methods). To obtain optimized, enhanced or even new properties, the nanostructured MC materials can be modified by other functional nanomaterials such as carbon-based materials, noble metals, metal oxides, or MCs themselves. Thus, this review will then be focused on the recent strategies used to realize the modifications of MC nanomaterials. After that, the ECS applications of the MC/modified-MC nanomaterials have been systematically summarized based on a great number of successful cases. Moreover, remarks on the challenges and perspectives for future MC research are proposed (403 references).

Materials Availability Expands the Opportunity for Large-Scale Photovoltaics Deployment

2009-02-13

Cyrus Wadia , A. Paul Alivisatos , Daniel M. Kammen

Solar photovoltaics have great promise for a low-carbon future but remain expensive relative to other technologies. Greatly increased penetration of photovoltaics into global energy markets requires an expansion in attention … Solar photovoltaics have great promise for a low-carbon future but remain expensive relative to other technologies. Greatly increased penetration of photovoltaics into global energy markets requires an expansion in attention from designs of high-performance to those that can deliver significantly lower cost per kilowatt-hour. To evaluate a new set of technical and economic performance targets, we examine material extraction costs and supply constraints for 23 promising semiconducting materials. Twelve composite materials systems were found to have the capacity to meet or exceed the annual worldwide electricity consumption of 17 000 TWh, of which nine have the potential for a significant cost reduction over crystalline silicon. We identify a large material extraction cost (cents/watt) gap between leading thin film materials and a number of unconventional solar cell candidates including FeS2, CuO, and Zn3P2. We find that devices performing below 10% power conversion efficiencies deliver the same lifetime energy output as those above 20% when a 3/4 material reduction is achieved. Here, we develop a roadmap emphasizing low-cost alternatives that could become a dominant new approach for photovoltaics research and deployment.

Potassium-induced surface modification of Cu(In,Ga)Se2 thin films for high-efficiency solar cells

2013-10-31

A. Chirilă , Patrick Reinhard , Fabian Pianezzi +7 more

High‐Efficiency Solar Cell with Earth‐Abundant Liquid‐Processed Absorber

2010-02-08

Teodor K. Todorov , Kathleen B. Reuter , David B. Mitzi

A composite liquid deposition approach merging the concepts of solution and particle-based coating for multinary chalcogenide materials is demonstrated. Photovoltaic absorbers based on earth-abundant Cu–Zn–Sn–S–Se kesterites show exceptional phase purity … A composite liquid deposition approach merging the concepts of solution and particle-based coating for multinary chalcogenide materials is demonstrated. Photovoltaic absorbers based on earth-abundant Cu–Zn–Sn–S–Se kesterites show exceptional phase purity and are incorporated into solar cells with power conversion efficiency above 9.6%, bringing the state of the art of kesterite photovoltaic materials to a level suitable for possible commercialization.

Defect physics of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CuInSe</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>chalcopyrite semiconductor

1998-04-15

Shengbai Zhang , Su‐Huai Wei , Alex Zunger +1 more

We studied the defect physics in ${\mathrm{CuInSe}}_{2},$ a prototype chalcopyrite semiconductor. We showed that (i) it takes much less energy to form a Cu vacancy in ${\mathrm{CuInSe}}_{2}$ than to form … We studied the defect physics in ${\mathrm{CuInSe}}_{2},$ a prototype chalcopyrite semiconductor. We showed that (i) it takes much less energy to form a Cu vacancy in ${\mathrm{CuInSe}}_{2}$ than to form cation vacancies in II-VI compounds (ii) defect formation energies vary considerably both with the Fermi energy and with the chemical potential of the atomic species, and (iii) the defect pairs such as $({2\mathrm{V}}_{\mathrm{Cu}}^{\mathrm{\ensuremath{-}}}{+\mathrm{I}\mathrm{n}}_{\mathrm{Cu}}^{2+})$ and $({2\mathrm{C}\mathrm{u}}_{\mathrm{In}}^{2\mathrm{\ensuremath{-}}}{+\mathrm{I}\mathrm{n}}_{\mathrm{Cu}}^{2+})$ have particularly low formation energies (under certain conditions, even exothermic). Using (i)--(iii), we (a) explain the existence of unusual ordered compounds ${\mathrm{CuIn}}_{5}{\mathrm{Se}}_{8},$ ${\mathrm{CuIn}}_{3}{\mathrm{Se}}_{5},$ ${\mathrm{Cu}}_{2}{\mathrm{In}}_{4}{\mathrm{Se}}_{7},$ and ${\mathrm{Cu}}_{3}{\mathrm{In}}_{5}{\mathrm{Se}}_{9}$ as a repeat of a single unit of $({2\mathrm{V}}_{\mathrm{Cu}}^{\mathrm{\ensuremath{-}}}{+\mathrm{I}\mathrm{n}}_{\mathrm{Cu}}^{2+})$ pairs for each $n=4,$ 5, 7, and 9 units, respectively, of ${\mathrm{CuInSe}}_{2};$ (b) attribute the very efficient $p$-type self-doping ability of ${\mathrm{CuInSe}}_{2}$ to the exceptionally low formation energy of the shallow defect Cu vacancies; (c) explained in terms of an electronic passivation of the ${\mathrm{In}}_{\mathrm{Cu}}^{2+}$ by ${2\mathrm{V}}_{\mathrm{Cu}}^{\mathrm{\ensuremath{-}}}$ the electrically benign character of the large defect population in ${\mathrm{CuInSe}}_{2}.$ Our calculation leads to a set of new assignment of the observed defect transition energy levels in the band gap. The calculated level positions agree rather well with available experimental data.

Highly efficient Cu(In,Ga)Se2 solar cells grown on flexible polymer films

2011-09-16

A. Chirilă , Stephan Buecheler , Fabian Pianezzi +7 more

Fabrication of 7.2% Efficient CZTSSe Solar Cells Using CZTS Nanocrystals

2010-11-19

Qijie Guo , Grayson M. Ford , Wei‐Chang Yang +4 more

Earth abundant copper-zinc-tin-chalcogenide (CZTSSe) is an important class of material for the development of low cost and sustainable thin film solar cells. The fabrication of CZTSSe solar cells by selenization … Earth abundant copper-zinc-tin-chalcogenide (CZTSSe) is an important class of material for the development of low cost and sustainable thin film solar cells. The fabrication of CZTSSe solar cells by selenization of CZTS nanocrystals is presented. By tuning the composition of the CZTS nanocrystals and developing a robust film coating method, a total area efficiency as high as 7.2% under AM 1.5 illumination and light soaking has been achieved.

Photovoltaic materials, history, status and outlook

2002-12-03

A. Goetzberger , Christopher Hebling , Hans‐Werner Schock

Band gap narrowing of titanium dioxide by sulfur doping

2002-07-15

T. Umebayashi , Tetsuya Yamaki , H. Itoh +1 more

Titanium dioxide (TiO2) doped with sulfur (S) was synthesized by oxidation annealing of titanium disulfide (TiS2). According to the x-ray diffraction patterns, TiS2 turned into anatase TiO2 when annealed at … Titanium dioxide (TiO2) doped with sulfur (S) was synthesized by oxidation annealing of titanium disulfide (TiS2). According to the x-ray diffraction patterns, TiS2 turned into anatase TiO2 when annealed at 600 °C. The residual S atoms occupied O-atom sites in TiO2 to form Ti–S bonds. The S doping caused the absorption edge of TiO2 to be shifted into the lower-energy region. Based on the theoretical analyses using ab initio band calculations, mixing of the S 3p states with the valence band was found to contribute to the band gap narrowing.

High-efficiency polycrystalline CdTe thin-film solar cells

2004-08-24

Xuanzhi Wu

Solar photovoltaic electricity: Current status and future prospects

2011-01-04

T.M. Razykov , Chris Ferekides , D.L. Morel +3 more

Optical Nonlinearities and Ultrafast Carrier Dynamics in Semiconductor Nanocrystals

2000-06-06

Victor I. Klimov

Femtosecond transient absorption in the visible and infrared spectral ranges has been applied to study carrier dynamics and mechanisms for resonant optical nonlinearities in CdSe nanocrystals (NCs) with a variety … Femtosecond transient absorption in the visible and infrared spectral ranges has been applied to study carrier dynamics and mechanisms for resonant optical nonlinearities in CdSe nanocrystals (NCs) with a variety of surface passivations. Sequential filling of the 1S, 1P, and 1D atomic-like electron orbitals, governed by Fermi statistics, is clearly observed in the NC bleaching spectra recorded at progressively higher pump intensities. We observe that electron−hole (e−h) spatial separation strongly affects electron intraband dynamics. Such dependence indicates a nonphonon energy relaxation mechanism involving e−h interactions. A strong difference in electron and hole relaxation behavior in the stage following initial intraband relaxation is observed. In contrast to electron relaxation, which is sensitive to the quality of surface passivation (i.e., is affected by trapping at surface defects), depopulation dynamics of the initially-excited hole states are identical in NCs with different surface properties, suggesting that these dynamics are due to relaxation into intrinsic NC states. In the regime of multiparticle excitation, a quantization of relaxation rates corresponding to different multiple e−h pair states is observed. This effect is explained in terms of quantum-confined Auger recombination.

Solar cell efficiency tables (version 39)

2011-12-29

Martin A. Green , Keith Emery , Yoshihiro Hishikawa +2 more

ABSTRACT Consolidated tables showing an extensive listing of the highest independently confirmed efficiencies for solar cells and modules are presented. Guidelines for inclusion of results into these tables are outlined, … ABSTRACT Consolidated tables showing an extensive listing of the highest independently confirmed efficiencies for solar cells and modules are presented. Guidelines for inclusion of results into these tables are outlined, and new entries since July 2011 are reviewed. Copyright © 2011 John Wiley & Sons, Ltd.

Thin‐film solar cells: an overview

2004-03-01

K. L. Chopra , P.D. Paulson , Viresh Dutta

Abstract Thin film solar cells (TFSC) are a promising approach for terrestrial and space photovoltaics and offer a wide variety of choices in terms of the device design and fabrication. … Abstract Thin film solar cells (TFSC) are a promising approach for terrestrial and space photovoltaics and offer a wide variety of choices in terms of the device design and fabrication. A variety of substrates (flexible or rigid, metal or insulator) can be used for deposition of different layers (contact, buffer, absorber, reflector, etc.) using different techniques (PVD, CVD, ECD, plasma‐based, hybrid, etc.). Such versatility allows tailoring and engineering of the layers in order to improve device performance. For large‐area devices required for realistic applications, thin‐film device fabrication becomes complex and requires proper control over the entire process sequence. Proper understanding of thin‐film deposition processes can help in achieving high‐efficiency devices over large areas, as has been demonstrated commercially for different cells. Research and development in new, exotic and simple materials and devices, and innovative, but simple manufacturing processes need to be pursued in a focussed manner. Which cell(s) and which technologies will ultimately succeed commercially continue to be anybody's guess, but it would surely be determined by the simplicity of manufacturability and the cost per reliable watt. Cheap and moderately efficient TFSC are expected to receive a due commercial place under the sun. Copyright © 2004 John Wiley & Sons, Ltd.

Synthesis of Few-Layer GaSe Nanosheets for High Performance Photodetectors

2012-06-07

PingAn Hu , Zhenzhong Wen , Lifeng Wang +2 more

Two-dimensional (2D) semiconductor nanomaterials hold great promises for future electronics and optics. In this paper, a 2D nanosheets of ultrathin GaSe has been prepared by using mechanical cleavage and solvent … Two-dimensional (2D) semiconductor nanomaterials hold great promises for future electronics and optics. In this paper, a 2D nanosheets of ultrathin GaSe has been prepared by using mechanical cleavage and solvent exfoliation method. Single- and few-layer GaSe nanosheets are exfoliated on an SiO2/Si substrate and characterized by atomic force microscopy and Raman spectroscopy. Ultrathin GaSe-based photodetector shows a fast response of 0.02 s, high responsivity of 2.8 AW–1 and high external quantum efficiency of 1367% at 254 nm, indicating that the two-dimensional nanostructure of GaSe is a new promising material for high performance photodetectors.

19·9%‐efficient ZnO/CdS/CuInGaSe2 solar cell with 81·2% fill factor

2008-02-14

Ingrid Repins , Miguel Á. Contreras , Brian Egaas +5 more

Abstract We report a new record total‐area efficiency of 19·9% for CuInGaSe 2 ‐based thin‐film solar cells. Improved performance is due to higher fill factor. The device was made by … Abstract We report a new record total‐area efficiency of 19·9% for CuInGaSe 2 ‐based thin‐film solar cells. Improved performance is due to higher fill factor. The device was made by three‐stage co‐evaporation with a modified surface termination. Growth conditions, device analysis, and basic film characterization are presented. Published in 2008 by John Wiley & Sons, Ltd.

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Solar cell efficiency tables (Version 45)

2014-12-20

Martin A. Green , Keith Emery , Yoshihiro Hishikawa +2 more

Consolidated tables showing an extensive listing of the highest independently confirmed efficiencies for solar cells and modules are presented. Guidelines for inclusion of results into these tables are outlined and … Consolidated tables showing an extensive listing of the highest independently confirmed efficiencies for solar cells and modules are presented. Guidelines for inclusion of results into these tables are outlined and new entries since July 2014 are reviewed. Copyright © 2014 John Wiley & Sons, Ltd.

Beyond 11% Efficiency: Characteristics of State‐of‐the‐Art Cu2ZnSn(S,Se)4 Solar Cells

2012-08-16

Teodor K. Todorov , Jiang Tang , Santanu Bag +4 more

A world-record CZTSSe device is reported, surpassing 11% power conversion efficiency for the first time. The results reflect not only higher efficiency, but also other improved device characteristics, such as … A world-record CZTSSe device is reported, surpassing 11% power conversion efficiency for the first time. The results reflect not only higher efficiency, but also other improved device characteristics, such as fill factor and short circuit current. The improvement in CZTSSe devices continues to point to significant promise for the kesterite-based absorbers.

Classification of Lattice Defects in the Kesterite Cu2ZnSnS4 and Cu2ZnSnSe4 Earth‐Abundant Solar Cell Absorbers

2013-02-11

Shiyou Chen , Aron Walsh , Xingao Gong +1 more

The kesterite-structured semiconductors Cu2ZnSnS4 and Cu2ZnSnSe4 are drawing considerable attention recently as the active layers in earth-abundant low-cost thin-film solar cells. The additional number of elements in these quaternary compounds, … The kesterite-structured semiconductors Cu2ZnSnS4 and Cu2ZnSnSe4 are drawing considerable attention recently as the active layers in earth-abundant low-cost thin-film solar cells. The additional number of elements in these quaternary compounds, relative to binary and ternary semiconductors, results in increased flexibility in the material properties. Conversely, a large variety of intrinsic lattice defects can also be formed, which have important influence on their optical and electrical properties, and hence their photovoltaic performance. Experimental identification of these defects is currently limited due to poor sample quality. Here recent theoretical research on defect formation and ionization in kesterite materials is reviewed based on new systematic calculations, and compared with the better studied chalcopyrite materials CuGaSe2 and CuInSe2 . Four features are revealed and highlighted: (i) the strong phase-competition between the kesterites and the coexisting secondary compounds; (ii) the intrinsic p-type conductivity determined by the high population of acceptor CuZn antisites and Cu vacancies, and their dependence on the Cu/(Zn+Sn) and Zn/Sn ratio; (iii) the role of charge-compensated defect clusters such as [2CuZn +SnZn ], [VCu +ZnCu ] and [ZnSn +2ZnCu ] and their contribution to non-stoichiometry; (iv) the electron-trapping effect of the abundant [2CuZn +SnZn ] clusters, especially in Cu2ZnSnS4. The calculated properties explain the experimental observation that Cu poor and Zn rich conditions (Cu/(Zn+Sn) ≈ 0.8 and Zn/Sn ≈ 1.2) result in the highest solar cell efficiency, as well as suggesting an efficiency limitation in Cu2ZnSn(S,Se)4 cells when the S composition is high.

Prepare dispersed CIS nano-scale particles and spray coating CIS absorber layers using nano-scale precursors

2014-01-01

Jian‐Chiun Liou , Chien-Chen Diao , Jing‐Jenn Lin +2 more

Abstract In this study, the Mo-electrode thin films were deposited by a two-stepped process, and the high-purity copper indium selenide-based powder (CuInSe 2 , CIS) was fabricated by hydrothermal process … Abstract In this study, the Mo-electrode thin films were deposited by a two-stepped process, and the high-purity copper indium selenide-based powder (CuInSe 2 , CIS) was fabricated by hydrothermal process by Nanowin Technology Co. Ltd. From the X-ray pattern of the CIS precursor, the mainly crystalline phase was CIS, and the almost undetectable CuSe phase was observed. Because the CIS powder was aggregated into micro-scale particles and the average particle sizes were approximately 3 to 8 μm, the CIS power was ground into nano-scale particles, then the 6 wt.% CIS particles were dispersed into isopropyl alcohol to get the solution for spray coating method. Then, 0.1 ml CIS solution was sprayed on the 20 mm × 10 mm Mo/glass substrates, and the heat treatment for the nano-scale CIS solution under various parameters was carried out in a selenization furnace. The annealing temperature was set at 550°C, and the annealing time was changed from 5 to 30 min, without extra Se content was added in the furnace. The influences of annealing time on the densification, crystallization, resistivity ( ρ ), hall mobility ( μ ), and carrier concentration of the CIS absorber layers were well investigated in this study.

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Photovoltaic materials: Present efficiencies and future challenges

2016-04-14

Albert Polman , Mark W. Knight , Erik C. Garnett +2 more

Recent developments in photovoltaic materials have led to continual improvements in their efficiency. We review the electrical characteristics of 16 widely studied geometries of photovoltaic materials with efficiencies of 10 … Recent developments in photovoltaic materials have led to continual improvements in their efficiency. We review the electrical characteristics of 16 widely studied geometries of photovoltaic materials with efficiencies of 10 to 29%. Comparison of these characteristics to the fundamental limits based on the Shockley-Queisser detailed-balance model provides a basis for identifying the key limiting factors, related to efficient light management and charge carrier collection, for these materials. Prospects for practical application and large-area fabrication are discussed for each material.

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Effects of heavy alkali elements in Cu(In,Ga)Se2 solar cells with efficiencies up to 22.6%

2016-07-12

Philip Jackson , Roland Wüerz , Dimitrios Hariskos +3 more

We report on the use and effect of the alkali elements rubidium and caesium in the place of sodium and potassium in the alkali post deposition treatment (PDT) as applied … We report on the use and effect of the alkali elements rubidium and caesium in the place of sodium and potassium in the alkali post deposition treatment (PDT) as applied to Cu(In,Ga)Se 2 (CIGS) solar cell absorbers. In order to study the effects of the different alkali elements, we have produced a large number of CIGS solar cells with high efficiencies resulting in a good experimental resolution to detect even small differences in performance. We examine the electrical device parameters of these fully functional devices and observe a positive trend in the I – V parameters when moving from devices without PDT to KF‐, RbF‐, and eventually to CsF‐PDT. A diode analysis reveals an improved diode quality for cells treat‐ed with heavier alkalis. Furthermore, secondary ion mass spectrometry (SIMS) measurements reveal a competitive mechanism induced within the class of alkali elements in the CIGS absorber induced by the alkali post deposition treatment. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)

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A review of thin film solar cell technologies and challenges

2016-12-12

Taesoo D. Lee , Abasifreke Ebong

Solar cell efficiency tables (version 50)

2017-06-21

Martin A. Green , Yoshihiro Hishikawa , Wilhelm Warta +4 more

Abstract Consolidated tables showing an extensive listing of the highest independently confirmed efficiencies for solar cells and modules are presented. Guidelines for inclusion of results into these tables are outlined, … Abstract Consolidated tables showing an extensive listing of the highest independently confirmed efficiencies for solar cells and modules are presented. Guidelines for inclusion of results into these tables are outlined, and new entries since January 2017 are reviewed.

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Photovoltaic solar cell technologies: analysing the state of the art

2019-03-28

Pabitra K. Nayak , Suhas Mahesh , Henry J. Snaith +1 more

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Semiconducting Lead Chalcogenides

1970-01-01

Yu. I. Ravich , B. A. Efimova , И. А. Смирнов

Solar cell efficiency tables (version 54)

2019-06-20

Martin A. Green , Ewan D. Dunlop , Dean H. Levi +3 more

Cd-Free Cu(In,Ga)(Se,S)2 Thin-Film Solar Cell With Record Efficiency of 23.35%

2019-09-05

Motoshi Nakamura , Koji Yamaguchi , Yoshinori Kimoto +3 more

In this article, the excellent properties of state-of-the-art Cd-free Cu(In,Ga)(Se,S) 2 (CIGSSe) solar cells with Zn(O,S,OH) x /Zn 0.8 Mg 0.2 O … In this article, the excellent properties of state-of-the-art Cd-free Cu(In,Ga)(Se,S) 2 (CIGSSe) solar cells with Zn(O,S,OH) x /Zn 0.8 Mg 0.2 O double buffer layers, deposited by a combination of chemical bath deposition and atomic layer deposition techniques, are presented. By the replacement of conventional CdS buffer layers with this double buffer layer, the open-circuit voltage (V oc ) deficit of the devices could be significantly reduced, and V oc increased by approximately 15 mV. In addition, the fill factor and short-circuit current were also improved, increasing the device efficiency by approximately 0.5 absolute percent compared with devices with CdS buffers. The Cd-free double buffer layer improved the device efficiency regardless of the bandgap of the CIGSSe absorber. The minority carrier lifetime (τ) measured via time-resolved photoluminescence became longer, indicating that carrier recombination is mitigated using the double buffer layer. Based on the device parameters extracted by fitting the Suns-V oc characteristics to the double-diode model, the longer τ could be attributed to the decreased recombination rate in the space-charge region, rather than in the bulk and at the interface. The best performing cell was evaluated by a reliable third party, the National Institute of Advanced Industrial Science and Technology; this cell achieved a new world record efficiency of 23.35% for 1-cm 2 -sized thin-film polycrystalline solar cells. The device parameters of this cell are also discussed in this article.

Solar cell efficiency tables (version 57)

2020-11-27

Martin A. Green , Ewan D. Dunlop , Jochen Hohl‐Ebinger +3 more

Numerical and Experimental Investigation of AZO Thin Films for Enhanced Photovoltaic Performance in ZnO/Si, ZnO/GaAs, and ZnO/CdTe Heterojunction Solar Cells

2025-06-25

Mohamed Manoua , Ghizlan El Hallani , Naoual Al Armouzi +3 more | JOM

A Strategy for Transition Metal Chalcogenide Synthesis Using Sequential Selenium Substitution

2025-06-25

Jun Wang , Yunxia Hu , Hongwei Liu +7 more | Nano Letters

The direct synthesis of wafer-scale single-crystal transition metal dichalcogenides (TMDs) remains challenging, albeit with enormous potential applications as semiconductors. In this work, we demonstrate the feasibility of using single-crystal 2H-MoTe2 … The direct synthesis of wafer-scale single-crystal transition metal dichalcogenides (TMDs) remains challenging, albeit with enormous potential applications as semiconductors. In this work, we demonstrate the feasibility of using single-crystal 2H-MoTe2 films as templates, followed by a sequential selenium substitution reaction to synthesize a variety of TMDs and their heterostructures. We also demonstrate the synthesis of a MoTe2/MoSe2 lateral heterostructure with various substitution temperatures for Se substitution in 1T' and 2H phase MoTe2. Computational results illustrate that Se substitution is likely to start at Te vacancy sites, where generated strain lowers the energy barrier for further substitution, leading to a chain reaction that propagates until the entire layer is selenized. The obtained MoSe2 shows a high hole mobility of 32 cm2 V-1 s-1, comparable to the 2.8-31.6 range from mechanically exfoliated samples. Consequently, this MoSe2-based photodetector shows a comparable responsivity of 41 mA W-1 under near-infrared (1060 nm) illumination.

A comparative analysis of numerical and experimental optimization of CuSbS₂ absorber layer thickness for improved solar cell performance

2025-06-24

Femi Emmanuel Ikuemonisan , Yusuf Olanrewaju Kayode , Opeyemi Balikisu Odubote | Next Materials

Sb2S3/MnS interface optimization for improved all-inorganic Sb2S3 solar cell performance based on NH4F impregnation

2025-06-24

Yuan Li , Xiaokang Lu , S.T. Liu +2 more | Solar Energy Materials and Solar Cells

A comprehensive theoretical study of structural and electronic features in LaOInS<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si41.svg" display="inline" id="d1e1042"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math> polymorphs for photocatalytic applications

2025-06-24

Smritijit Sen , Maha Benchakroun , Édouard Boivin +2 more | International Journal of Hydrogen Energy

Three Complementary Strategies for Synthesizing Colloidal Nanoparticles of High Entropy Transition Metal Ditellurides

2025-06-24

Gaurav R. Dey , Samuel S. Soliman , Raymond E. Schaak | Inorganic Chemistry

Nanoparticles of transition metal dichalcogenides, including tellurides, are widely used for their dimension- and size-dependent electronic, magnetic, optical, and catalytic properties. Additional tunability can emerge from high-entropy compositions, where five … Nanoparticles of transition metal dichalcogenides, including tellurides, are widely used for their dimension- and size-dependent electronic, magnetic, optical, and catalytic properties. Additional tunability can emerge from high-entropy compositions, where five or more metals randomly mix on the crystalline lattice sites. Colloidal routes for synthesizing transition metal ditelluride nanoparticles can be challenging, as can achieving high-entropy mixing in colloidal nanoparticles. Here, we present three complementary strategies for synthesizing colloidal nanoparticles of high-entropy transition metal ditellurides that adopt a layered MTe2 structure. First, we react high-entropy NiPdPtRhIr alloy nanoparticles with diphenyl ditelluride, which maintains the high-entropy mixing upon transformation to (NiPdPtRhIr)Te2. However, this approach is limited in the compositional scope due to crystal structure considerations. To circumvent this limitation and to produce the high-entropy tellurides (SnPdPtRhIr)Te2 and (SnNiPtRhIr)Te2 in addition to (NiPdPtRhIr)Te2, the second strategy involves direct colloidal synthesis without first forming high-entropy alloy intermediates. Third, preformed Te particles can also transform into MTe2 high-entropy tellurides by diffusing metal reagents into them. These three strategies, which are complementary in their capabilities and limitations, provide insights for targeting the synthesis of high-entropy transition metal ditelluride nanoparticles.

Effects of transition metal (Mn2+, Ni2+, and Co3+) doping on the structural and optical properties of pyrrhotite (Fe1-xS) nanoparticles

2025-06-24

Gervais A. Tigwere , Malik Dilshad Khan , Linda D. Nyamen +2 more | Transition Metal Chemistry

Solid Solutions in Cu2Se - Ga2Se - In2Se3 Nanothick Films

2025-06-24

| Deleted Journal

Hydrothermal Synthesis of Highly Crystalline Tellurium Nanowires for Nanoelectronics

2025-06-23

Heping Cui , Kai Zheng , Sven Ingebrandt | ACS Applied Nano Materials

Passivation of antimony vacancies by Al3+ ions and anode interface modification for enhancing the efficiency of Sb2Se3 thin-film solar cells

2025-06-23

Yi Xiang , Xin-Yi Dong , Haojie Ma +7 more | Applied Physics Letters

Vacancies of Se and Sb are the most detrimental deep-level defects in the Sb2Se3 film. Herein, an approach is proposed to passivate the Sb vacancies using Al3+ ions. The tris(8-hydroxy-quinolinato) … Vacancies of Se and Sb are the most detrimental deep-level defects in the Sb2Se3 film. Herein, an approach is proposed to passivate the Sb vacancies using Al3+ ions. The tris(8-hydroxy-quinolinato) aluminum (Alq3) is employed as the Al3+ source, which is buried between indium tin oxide (ITO) and Sb2Se3. Additionally, the incorporation of the Alq3 layer not only inhibits the chemical reaction between Sb2Se3 and ITO but also lowers the contact barrier. As a result, the open-circuit voltage increases from 0.34 to 0.43 V, and the power conversion efficiency rises from 3.3% to 5.1%. Notably, our finding confirms that the grain boundary in the Sb2Se3 film with (020) preferred orientation is harmless and does not induce significant carrier recombination. The device is fabricated by conventional vacuum thermal evaporation. This study offers insights into enhancing the efficiency of Sb2Se3 solar cells.

The effects of vacancies and strain on the magnetism of tellurene

2025-06-23

Xinchen Yu , Mengxin Wang , Jiayi Dong +1 more | Applied Physics Letters

The effects of vacancy defects and biaxial strain on the magnetism of α-Te are investigated using first-principles calculations. The calculated results show that the vacancy defects induce significant magnetism in … The effects of vacancy defects and biaxial strain on the magnetism of α-Te are investigated using first-principles calculations. The calculated results show that the vacancy defects induce significant magnetism in α-Te: VTe1m and VTe7 defects generate magnetic moments of 3 μB and 2 μB, respectively. The density of states analysis reveals that vacancy defects introduce impurity subbands. While biaxial strain is taken into account, VTe1m exhibits a maximum magnetic moment of 3.8 μB at 4% strain and VTe7 also exhibits a maximum magnetic moment of 3.2 μB at −2% strain. Interestingly, magnetism is quenched at critical strain values (4% compression and 1% tension for VTe1m; −3% and 0% for VTe7). This study provides a theoretical foundation for designing α-Te-based spintronic devices (such as multistate magnetic memory, strain-gradient spin logic devices, and high-sensitivity magnetoelectric sensors) by regulating magnetism through vacancy defects and strain engine.

Advancing Solar Cell Efficiency: Experimental and Numerical Analysis of Mn-Doped ZnS as a Buffer Layer

2025-06-23

Abdelali Talbi , Yassine Khaaissa , Fadoua Mansouri +4 more | ACS Omega

Influence of Deposition Time on Properties of Se-Doped CdTe Thin Films for Solar Cells

2025-06-22

I. M. Beker , F.B. Dejene , L.F. Koao +2 more | Crystals

Se-doped CdTe thin films were grown employing a simple two-electrode electrochemical deposition method using glass/tin-doped indium oxide (glass/ITO). Cadmium acetate dihydrate [Cd (CH3CO2)2. 2H2O], selenium dioxide (SeO2), and tellurium dioxide … Se-doped CdTe thin films were grown employing a simple two-electrode electrochemical deposition method using glass/tin-doped indium oxide (glass/ITO). Cadmium acetate dihydrate [Cd (CH3CO2)2. 2H2O], selenium dioxide (SeO2), and tellurium dioxide (TeO2) were used as precursors. Instruments including X-ray diffraction for structural investigation, UV-Vis spectrophotometry for optical properties, and scanning probe microscopy for morphological properties were employed to investigate the physico-chemical characteristics of the resulting Se-doped CdTe thin-film. The films are polycrystalline with a cubic phase, according to X-ray diffraction (XRD) data. More ions are deposited on the substrate, which makes the material more crystalline and intensifies the characteristic peaks that are seen. It is observed from the acquired optical characterization that the film’s bandgap is greatly influenced by the deposition time. The bandgap dropped from 1.92 to 1.62 as the deposition period increased from 25 to 45 min, making the film more transparent and absorbing less light at shorter deposition durations. Images from scanning electron microscopy (SEM) show that the surface morphology is homogenous with closely packed grains and that the grain forms become less noticeable as the deposition time increases. This work is novel in that it investigates the influence of the deposition time on the structural, optical, and morphological properties of Se-doped CdTe thin films deposited using a cost-effective, simplified two-electrode electrochemical method—a fabrication route that remains largely unexplored for this material system.

First-principles study of mixing in the system of layered dichalcogenides MoS2-WS2

2025-06-21

Oleksandr Vasiliev | Physics and Chemistry of Solid State

The thermodynamic stability and mixing behavior of the MoS₂-WS₂ system were investigated using a cluster expansion model constructed from density functional theory (DFT) calculations. The alloy cluster expansion approach enabled … The thermodynamic stability and mixing behavior of the MoS₂-WS₂ system were investigated using a cluster expansion model constructed from density functional theory (DFT) calculations. The alloy cluster expansion approach enabled the efficient sampling of atomic configurations, overcoming the computational limitations of direct DFT calculations. The accuracy of the cluster expansion model was validated against additional DFT calculations, achieving a root-mean-squared error close to 1.0 × 10⁻⁴ eV/atom and R2 = 0.74. The mixing energy landscape was analyzed to determine the existence of ordered ground-state structures and assess the stability of solid solutions. The results indicate that MoS₂-WS₂ forms a stable solid solution across the full compositional range, with specific ordering tendencies at a broad range of intermediate atomic concentrations of tungsten, from XW = 0.33 to 0.66. The constructed convex hull suggests a multitude of ground states in this range with ordering patterns of a single solute atom residing in a hexagon of solvent atoms within a single layer. Generally small mixing energy values imply a dominant role of entropy at synthesis temperatures. The findings provide insight into the thermodynamic factors governing mixing in transition metal dichalcogenide MoS₂-WS₂ solid solutions, contributing to the rational design of materials based on them.

Influence of Electrolytic Bath pH on the Structural, Morphological, and Optical Properties of CdTe:Se Thin Films Prepared by Electrodeposition for Solar Cell Application

2025-06-21

I. M. Beker , F.B. Dejene , L.F. Koao +3 more | Journal of Electronic Materials

Unlocking the structural, vibrational, electronic, optical and thermoelectric properties of K2X (X = S, Se, Te) monolayers via DFT and ML

2025-06-20

G. Sneha , R.D. Eithiraj | Results in Engineering

A comparative study on the thermoelectric performance of layered β- and ε-GaSe

2025-06-20

Wenyan Jiao , Hongmei Yuan , Shihao Han +3 more | Chinese Physics Letters

Abstract Due to the weak interlayer interactions, the binary III-VI chalcogenides GaSe can exist in several distinct polymorphs. Among them, the so-called β- and ε-phase simultaneously exhibit favorable total energies … Abstract Due to the weak interlayer interactions, the binary III-VI chalcogenides GaSe can exist in several distinct polymorphs. Among them, the so-called β- and ε-phase simultaneously exhibit favorable total energies and moderate band gaps, which offer a good platform to explore their thermoelectric properties. Here, we demonstrate by first-principles calculations that the two systems have very similar band structures and phonon dispersions, despite with different stacking sequences between adjacent layers. Interestingly, the lattice thermal conductivity of ε-GaSe is obviously lower than that of the β-GaSe, which is inherently tied with stronger lattice anharmonicity caused by bonding heterogeneity. Besides, both systems exhibit higher p -type power factors due to doubly degenerate bands with weaker dispersions around the valence band maximum. As a consequence, a significantly enhanced p -type ZT of 2.1 can be realized at 700 K along the out-of-plane direction of ε-phase.

Recombination velocities at grain boundaries in solar-cell absorbers—Revisited

2025-06-20

Daniel Abou‐Ras , Matthias Maiberg | Journal of Applied Physics

The present work revisits the recombination velocities (sGB) of minority-charge carriers determined at grain boundaries in polycrystalline absorber materials for solar cells. The equations describing sGB as well as the … The present work revisits the recombination velocities (sGB) of minority-charge carriers determined at grain boundaries in polycrystalline absorber materials for solar cells. The equations describing sGB as well as the barriers for electrons and holes were derived. It is shown that for given net-doping density and absolute temperature, the experimentally determined recombination velocity of a specific grain boundary can be described by sGB=sGB,0nexp⁡[−ΦGB(NGB,charge)/(kBT)], where ΦGB is the band bending induced by the excess-charge density NGB,charge at the grain boundary, and kB as well as T are the Boltzmann constant and the absolute temperature; i.e., sGB depends only on the excess-charge density at this planar defect as well as on the prefactor sGB,0n describing the nonradiative recombination. Value ranges for these two quantities can be determined for any measured sGB value. When analyzing sGB datasets acquired on various (Ag,Cu)(In,Ga)Se2 and microcrystalline Si absorbers, it is apparent that both the excess-charge density and the prefactor sGB,0n remain within about the same orders of magnitude for all grain boundaries analyzed in a specific absorber. The broad range of the recombination velocities over several orders of magnitude indicates upward as well as downward band bending, and the band-bending values are on the order of several ±10 meV for all materials analyzed.

The effect of the annealing temperature on the properties of electrodeposited CdZrS thin films.

2025-06-19

T.K.W. Mohapi , A.U. Yimamu , O. K. Echendu +2 more | Physica Scripta

Abstract The electrodeposition procedure was carried out utilizing a two-electrode system on fluorine-doped tin oxide (FTO) glass substrates, with the as-prepared thin film and various annealing temperatures for cadmium zirconium … Abstract The electrodeposition procedure was carried out utilizing a two-electrode system on fluorine-doped tin oxide (FTO) glass substrates, with the as-prepared thin film and various annealing temperatures for cadmium zirconium sulfide (CdZrS) thin films. On the synthesized thin films, the structural, surface morphology, elemental composition, surface roughness, and optical properties of the resulting films were studied by characterization techniques such as X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectrometry (EDS), scanning probe microscopy (SPM), and ultraviolet-visible spectroscopy (UV-vis) techniques. The XRD results revealed that CdZrS thin films exhibit the cubic phase. The crystallite size of the films fluctuated with an increase in annealing temperature. The SEM images show the hexagonal shape and white rod-like structures on the surface of the films. The EDS results confirmed the presence of all the expected elements for Cd, Zr, and S forming the desired compound of CdZrS. The surface roughness of the films decreased with an increase in annealing temperature from 250 - 550 ºC in the range of 36.67-21.81 nm compared to the as-prepared film. The UV-vis measurements show that the absorbance decreases with an increase in annealing temperature, and the energy bandgap increased from 2.22 - 2.31 eV at 250 - 450 ºC and suddenly decreased to 2.25 eV at 550 ºC. To maximize charge transport, light transmission, and solar device efficiency, the optimal window layer material for n-type thin films should have small, compatible crystallite sizes, low surface roughness, minimal absorbance, and a carefully chosen energy bandgap.&#xD;

Exploring the Physical and Electrical Properties of Li and Na Co-Doped SnS Material

2025-06-19

Sanju Choudhari , Manisha Yadav , Pradeep Kumar +1 more | Journal of the Indian Chemical Society

Simple Route to Prepare ZnO Nanoparticles and Study Their Optical Properties

2025-06-19

M.J. Khalifa , Ola Abedallah Manaty | Journal of Wasit for Science and Medicine

A simple electrochemical method called electrolysis was used in this research to create zinc oxide (ZnO) nanoparticles from zinc and gold electrodes in diluted hydrochloric acid solution. The process of … A simple electrochemical method called electrolysis was used in this research to create zinc oxide (ZnO) nanoparticles from zinc and gold electrodes in diluted hydrochloric acid solution. The process of electrolysis was performed with a constant voltage of 5 V over 30 minutes in a mixture of HCl and water 12.5 % . The nanoparticles of ZnO were characterized by examining them with XRD, SEM, AFM and UV-Visible spectroscopy. Analysis of the particles showed that hexagonal wurtzite-phase ZnO nanoparticles have an average size between 30 and 50 nm. Approximately 3.3 band gap was estimated for ZnO and the given spectroscopic data revealed another band gap of 4.2 eV which is likely because the sample contained ultra-small particles of ZnO. The procedure uses electrolysis which provides benefits such as low temperatures, friendliness to the environment and scalability, so it has potential for use in photocatalysis, gas sensing and optoelectronics.

A Comprehensive Analysis of Recombination at Grain Boundaries in High‐Efficiency Kesterite‐Type Solar Cells

2025-06-19

Daniel Abou‐Ras , Sebastian Weitz , Jialiang Huang +6 more | Energy & environment materials

The present work reports on microscopic analyses of recombination at grain boundaries (GBs) in polycrystalline Li‐doped (Ag,Cu) 2 ZnSn(S,Se) 4 (Li‐ACZTSSe) and Cu 2 ZnSnS 4 (CZTS) absorber layers in … The present work reports on microscopic analyses of recombination at grain boundaries (GBs) in polycrystalline Li‐doped (Ag,Cu) 2 ZnSn(S,Se) 4 (Li‐ACZTSSe) and Cu 2 ZnSnS 4 (CZTS) absorber layers in high‐efficiency solar cells (conversion efficiencies of 14.4% and 10.8%). Recombination velocities s GB were determined at a large number of GBs by evaluating profiles extracted from cathodoluminescence intensity distributions across GBs in these polycrystalline layers. In both Li‐ACZTSSe and CZTS absorber layers, the s GB values exhibited wide ranges over several orders of magnitude with a median values of 680 and 1100 cm s −1 for the Li‐ACZTSSe and CZTS absorbers. A model that provides a comprehensive explanation for this finding is presented and discussed in detail. Correspondingly, wide ranges for s GB can be explained by different positive or negative excess charge densities present at different GBs, leading to different downward or upward band bending on the order of several ±10 meV, provided that the net‐doping density of the absorber layers is sufficiently large. As a result of the evaluation of the s GB , input parameters for multidimensional device simulations are obtained. It is revealed that the grain boundary lifetime closely matches the overall effective lifetime, indicating that grain boundary recombination is a key factor limiting the effective carrier lifetime of both Li‐ACZTSSe and CZTS absorbers. The estimated V OC losses due to GBs reach up to 126 mV for Li‐ACZTSSe and 88 mV for CZTS. This work highlights that reducing grain boundary recombination via improved passivation and increasing grain size is an effective strategy for achieving further efficiency improvements.

High pressure structural and lattice dynamics study of α-In2Se3

2025-06-18

Shiyu Feng , Baihong Sun , Wenting Lu +7 more | The Journal of Chemical Physics

Layered α-In2Se3 has been studied using a combined in situ synchrotron angle-dispersive powder x-ray diffraction and Raman spectroscopy study in a diamond anvil cell up to 60+ GPa, at room … Layered α-In2Se3 has been studied using a combined in situ synchrotron angle-dispersive powder x-ray diffraction and Raman spectroscopy study in a diamond anvil cell up to 60+ GPa, at room temperature. Helium, which remains fairly hydrostatic up to the highest pressure in this study, was used as the pressure-transmitting medium. The results from both experimental methods reveal a pressure-induced structural phase transition from α-In2Se3 to a monoclinic β′-In2Se3 structure at ≈1 GPa, in agreement with previous studies. Based on our detailed measurements using both experimental techniques and the F–f formalism, the β′-In2Se3 structure remains stable up to 45 GPa, without a clear indication of a phase transition toward the previously reported β-In2Se3 phase. Above this pressure, In2Se3 adopts a disordered solid-solution-like orthorhombic structure, phase IV. The results are discussed in comparison with the relevant previous studies of α-In2Se3 under pressure.

Open-circuit voltage (V ) enhancement through integration of MoS2 layer at the interface between Mo and Sb2S3

2025-06-18

H. M. Gupta , Evgeniia Gilshtein , Andrea Maria Pierri Enevoldsen +3 more | Materials Science and Engineering B

Evaluating 1 MeV proton damage in Cu(In,Ga)Se2 solar cells and a recovery pathway

2025-06-18

Tiago V. Fernandes , João Frazão Gomes , J. Gaspar +7 more | Journal of Physics Energy

Abstract The resilience of chalcogenide-based solar cells (SCs) in space environment is crucial for their applications in satellite power systems. In this experimental study, we investigate the effects of 1 … Abstract The resilience of chalcogenide-based solar cells (SCs) in space environment is crucial for their applications in satellite power systems. In this experimental study, we investigate the effects of 1 MeV proton irradiation at fluences ranging from 3×10^10 to 10^14 H^+/cm^2 on the optoelectronic properties of Cu(In,Ga)Se2 (CIGS) based SCs. In situ and ex situ electrical characterization revealed that irradiation causes degradation of the diode parameters and the electrical performance of the device, in particular the open-circuit voltage (VOC), fill factor (FF) and power conversion efficiency (η). Fluences above 10^13 H^+/cm^2 caused significant degradation of the solar cells. Keeping the SCs at room temperature, ambient atmosphere and in the dark did not contribute significantly to the SC recovery. The photoluminescence (PL) analysis revealed an increase in the defect density leading to the formation of deeper radiative recombination channels as well as non-radiative ones and an increase on the magnitude of the fluctuating potentials. In order to revert this degradation, we explored a heat light soaking (HLS) treatment that consisted in exposing the SCs to light incidence at temperature slightly above 90ºC. This treatment significantly restored the device’s electrical performance and the luminescence properties, demonstrating partial defect annihilation and restoration of the CIGS electronic structure. Interestingly, a non-irradiated SC subjected to the same HLS treatment showed no significant beneficial effect on the performance of the SC, which confirms the link between the observed recovery of the irradiated SCs and the annihilation of irradiation-induced defects. The findings of this work suggest that HLS is an effective, space-compatible self-healing mechanism that mitigates radiation damage in CIGS SCs, potentially enabling satellite SCs to be designed without cover glass.&#xD;

Study of the Cu(In,Ga)Se2 crystallization process through a combination of in-situ characterization techniques

2025-06-18

Juliana Noronha Fonseca , Carlos J. Tavares , Alec P. LaGrow +3 more | Journal of Physics Energy

Abstract This study investigates the crystallization process of amorphous Cu(In,Ga)Se 2 (CIGSe) through in-situ characterization techniques, specifically Raman spectroscopy, X-ray diffraction (XRD), and transmission electron microscopy (TEM). Amorphous CIGSe was … Abstract This study investigates the crystallization process of amorphous Cu(In,Ga)Se 2 (CIGSe) through in-situ characterization techniques, specifically Raman spectroscopy, X-ray diffraction (XRD), and transmission electron microscopy (TEM). Amorphous CIGSe was deposited through sputtering of a ternary target with simultaneous supply of selenium by evaporation. A Se capping layer revealed to enhance crystallization at lower temperatures, yielding larger crystallites at 400 °C and larger crystal grains after the crystallization process. The A 1 Raman mode of CIGSe appears at a lower temperature and with higher intensity in samples with Se capping compared to those without capping layer. The effect of temperature on the Raman spectra was considered by fitting post-crystallization data with a three-phonon coupling model, allowing for deconvolution of the thermal and material crystallization effects. In-situ XRD data corroborate the Raman data and revealed the formation of MoSe2 and Cu2Se secondary phases at 250 °C and 400 °C, respectively. Moreover, in-situ TEM allowed to further assess crystal growth during the crystallization process.

Construction of CZTS laminated PSCs with efficient and stability: Further optimization based on SCAPS-1D and first principle studies

2025-06-18

Mingze Ou , Nan Zhao , Hui Chen +7 more | Journal of Physics and Chemistry of Solids

Chemical bath deposition of Sb2S3 films with the uniform S distribution for efficient indoor photovoltaics

2025-06-18

Guiju Hu , Bo Yang , Chengwu Shi +6 more | Materials Today Communications

Plasma power-dependent properties of Ga-S-Se films prepared by PECVD for photodetection applications

2025-06-18

М.А. Кудряшов , А. В. Нежданов , Yuliya Kudryashova +5 more | Vacuum

Simulation and Optimization of CZTS/CZTSSe Tandem Photovoltaic Cells for Current Balancing and Efficiency Improvement

2025-06-18

Shweta Yadav , R. K. Chauhan , Rajan Mishra | Renewable Energy

Dual-band switchable mid-infrared emitter based on In3SbTe2 for gas detection application

2025-06-18

Biyuan Wu , Xiqiao Huang , Xiaohu Wu | Chinese Physics B

Abstract As a highly energy-efficient and sensitive radiation source, narrowband thermal emitters provide an ideal solution for non-contact gas detection, enabling the widespread application of mid-infrared "molecular fingerprint" technology. However, … Abstract As a highly energy-efficient and sensitive radiation source, narrowband thermal emitters provide an ideal solution for non-contact gas detection, enabling the widespread application of mid-infrared "molecular fingerprint" technology. However, most narrowband thermal emitters lack reconfigurability, limiting their adaptability in practical applications. In this study, we propose a novel dual-band switchable narrowband thermal emitter in the mid-infrared region. The emitter consists of an aperiodic Ge/SiO 2 /Ge/SiO 2 (GSGS) structure and a phase change material In 3 SbTe 2 (IST). When IST is in the crystalline state, the emitter achieves narrowband emission peaks at wavelengths of 3.79 µm and 6.12 µm, corresponding to the "on" state. However, when IST transitions to the amorphous state, the dual-band high emission disappears and it features angle- and polarization-independent behavior, representing the "off" state. Furthermore, we verify the physical mechanism behind the high emission through phase and amplitude calculations as well as electric field distribution analysis. Notably, the introduction of the IST provides an additional degree of freedom for tunability. Furthermore, by adjusting the thickness of the spacer layer, the emitter can be precisely tuned to match the characteristic absorption peaks of various mid-infrared gases, such as CH 4 , CO 2 , CO, and NO, enabling multi-gas detection in mixed gas environments. The proposed thermal emitter serves as an effective and low-cost alternative for dualband narrowband mid-infrared light sources, contributing to the advancement of multigas detection strategies.

Deep Learning–Driven Design of Eco-friendly CZTSₓSe₁₋ₓ Solar Cells: Impact of Plasmonic Light Trapping and Bandgap Tuning

2025-06-18

A. Maoucha , Tarek Berghout , F. Djeffal +1 more | Plasmonics

Cadmium-Free Buffer Layer Materials for Kesterite Thin-Film Solar Cells: An Overview

2025-06-18

Nafees Ahmad , Guangbao Wu | Energies

Kesterite (CZTS/CZTSSe) thin-film solar cells are considered an eco-friendly, earth-abundant, and low-cost photovoltaic technology that can fulfill our future energy needs. Due to its outstanding properties including tunable bandgap and … Kesterite (CZTS/CZTSSe) thin-film solar cells are considered an eco-friendly, earth-abundant, and low-cost photovoltaic technology that can fulfill our future energy needs. Due to its outstanding properties including tunable bandgap and high absorption coefficient, the power conversion efficiency (PCE) has reached over 14%. However, toxic cadmium sulfide (CdS) is commonly used as an n-type buffer layer in kesterite thin-film solar cells (KTFSCs) to form a better p–n junction with the p-type CZTS/CZTSSe absorber. In addition to its toxicity, the CdS buffer layer shows parasitic absorption at low wavelengths (400–500 nm) owing to its low bandgap (2.4 eV). For the last few years, several efforts have been made to substitute CdS with an eco-friendly, Cd-free, cost-effective buffer layer with alternative large-bandgap materials such as ZnSnO, Zn (O, S), In2Se3, ZnS, ZnMgO, and TiO2, which showed significant advances. Herein, we summarize the key findings of the research community using a Cd-free buffer layer in KTFSCs to provide a current scenario for future work motivating researchers to design new materials and strategies to achieve higher performance.

Effects of acid catalyst on the nanostructure of nickel sulfide thin films prepared by spin coating method

2025-06-18

Randa Slatnia , Lakel Abdelghani , Nouredine Sengouga +2 more | Journal of Sol-Gel Science and Technology

A Review on Chalcogenide-Based Materials for Counter Electrode Applications in Dye-Sensitized Solar Cells: Sulfides, Selenides, and Tellurides

2025-06-18

Pichitchai Pimpang , Kritsada Hongsith , Supab Choopun +1 more | ACS Omega

Effect of Substrate Temperature on Structural, Morphological, and Optical Behavior of RF Sputtered ZnTe Thin Films

2025-06-17

Kavita Devi , Gurvinder Singh , Arun Kumar +2 more | Integrated ferroelectrics

Optical, Structural and Morphological Characterisation of Indium Doped Cadmium Sulphide (Cds:In) Thin Films for Photovoltaic Cell Applications

2025-06-17

Ogechi Ogana John , Daniel Ketui , Duke Ateyh Oeba | International Journal of Physics

Oxygen‐Assisted High‐Temperature Deposition of High‐Efficiency Trigonal Selenium Solar Cells

2025-06-17

Kai Shen , Xinlong Wang , Bing Xiao +7 more | Advanced Energy Materials

Abstract Selenium (Se), the oldest material used in photovoltaic devices, initiated the development of modern solar technology. Trigonal Se ( t ‐Se), the most thermodynamically stable and photoactive phase, exhibits … Abstract Selenium (Se), the oldest material used in photovoltaic devices, initiated the development of modern solar technology. Trigonal Se ( t ‐Se), the most thermodynamically stable and photoactive phase, exhibits remarkable photoelectric properties. However, achieving high‐quality, pure‐phase, and well‐oriented t ‐Se films remains a significant challenge due to the high energy barrier for phase transformation and its inherent anisotropy. Here, an oxygen‐assisted high‐temperature deposition strategy is reported, wherein films are grown at temperatures exceeding the selenium re‐sublimation point and under elevated selenium vapor pressure. This approach effectively overcomes the intrinsic thermodynamic limitations, enabling the one‐step fabrication of single‐phase, highly crystalline, and vertically oriented polycrystalline t ‐Se absorber layers. The resulting t ‐Se absorbers exhibit improved carrier transport, reduced deep‐level defects, minimized surface potential fluctuations, and enhanced grain boundary properties. These advances significantly reduce electrical losses in t ‐Se thin film solar cells, leading to a certified efficiency of 7.55%, the highest certified efficiency so far. This work provides a thermodynamically viable route to the growth and application of trigonal Se and other low‐dimensional materials.

Nanoarchitectonics for 1T′ and 2H Phase Modulations and Phase-Dependent SERS Effect of 2D Re1-xMoxS2 Alloy Films

2025-06-17

Aixiang Wei , Xiaoyin Zhang , Jirun Zou +2 more | Materials Research Bulletin

Effects of silver chemical substitution on the structural and physical properties of Cu2-xAgxZnSnSe4 selenides

2025-06-17

Catalina Cortés , A. Osorio , Daniela Delgado +3 more | Monatshefte für Chemie - Chemical Monthly

Tellurides as Zintl Phases?

2025-06-17

Simon Steinberg | Journal of Physics Condensed Matter

Abstract Future problems request the development of materials, which serve as components in technologies addressing these challenges. In this context, tellurides are of great interest since many members of that … Abstract Future problems request the development of materials, which serve as components in technologies addressing these challenges. In this context, tellurides are of great interest since many members of that remarkable family of solids are at the frontline of fundamental research and technological applications. The tailored design of novel tellurides showing task-specific features also demands a proper understanding of their electronic structures, as the knowledge of them provides invaluable insights into the materials characteristics. Therefore, it will be quite helpful if there is a fundamental design principle that allows us to plan electronic peculiarities in tellurides in a straightforward manner. Eventually, the Zintl−Klemm−Busmann idea is a recipe that can guide us through electronic structures based on the corresponding crystal structures and it has been applied to several tellurides to date; yet, how helpful is that approach with regard to the prediction of electronic peculiarities for tellurides in general? In the framework of this review, it will be the overall goal to answer that question.&#xD;

Polarization and mismatch controllable band alignment transitions and photocatalytic properties in CuInP2S6/MoTe2 heterostructures

2025-06-16

Ziqing Huang , Huakai Xu , Xiaodong Yang +4 more | Applied Physics Letters

Understanding the physical mechanism of interface transport properties that affect hydrogen production is key for improving the performance of photocatalytic hydrogen generation reaction in two-dimensional (2D) van der Waals ferroelectric … Understanding the physical mechanism of interface transport properties that affect hydrogen production is key for improving the performance of photocatalytic hydrogen generation reaction in two-dimensional (2D) van der Waals ferroelectric heterostructures with various band arrangements. Herein, four CuInP2S6 (CIPS)/MoTe2 heterostructures with three band alignment transitions are obtained by controlling polarization direction and interface mismatch. To study the influence of polarization reversal and the different band alignments on transport properties, an analytical model is established to clarify the interface charge separation and recombination induced by built-in electric fields in type-II and Z-scheme heterostructures. The results show that polarization reversal can enhance the interface electron mobility by more than two orders of magnitude, and interface Auger recombination can greatly enhance the lifetime of photogenerated carriers at relatively higher bands. Moreover, by involving the energy loss induced by the interface electric field scattering rate and Auger recombination rate, we find that the solar-to-hydrogen efficiency of CIPS/MoTe2 with Z-scheme heterostructure is much larger than that of type-II heterostructures. Our prediction provides a quantitative approach to deal with the photocatalytic properties from interface transport under various band alignments and may offer guidance to pursue multifunctional applications in 2D ferroelectric materials.

Machine learning and meta-heuristic algorithm assisted optimization of perovskite / Sb2Se3 tandem solar cells

2025-06-16

YiHan Ding , ChaoLing Du , X. B. Zhang +5 more | Physica Scripta

Abstract Tandem solar cells are anticipated to possess higher efficiencies than single-junction counterparts originating from the broader absorption spectra. In recent years, machine learning methods have demonstrated to be efficient … Abstract Tandem solar cells are anticipated to possess higher efficiencies than single-junction counterparts originating from the broader absorption spectra. In recent years, machine learning methods have demonstrated to be efficient tools for the design and optimization of photoelectric devices. Herein, we proposed a tandem solar cell based on absorber layers of MAPbI3 and Sb2Se3 and employed three different machine learning models to predict its photovoltaic response. Additionally, a co-simulation model of metaheuristic algorithm (GA, PSO, SA) and machine learning model (LR, RR, MLP, DT, RF) is constructed to optimize the bandgap of the absorption materials, as well as the thicknesses of the ETL, HTL, and absorber layers. Through the proposed inverse design, the optimized power conversion efficiency (PCE) of the concerned cell is demonstrated to reach ~39.86%. The current work is believed to be insightful for the design and boosting the efficiency of tandem solar cells.

Thickness dependent studies of colloidally grown p-type Na-doped ZnS nano-crystalline films for ambipolar and optronic applications

2025-06-16

Rajeshkumar P. Khatri , A. Patel , Dipakkumar H. Sahay +3 more | Physica B Condensed Matter

First-principles investigation of structural, electronic, optical, and thermoelectric properties of Li2X (X = Te, Se, S) chalcogenides for energy and optoelectronic applications

2025-06-16

Muhammad Uzair , Rajwali Khan , Ayesha Nawab +7 more | Results in Physics

Investigation on the Preparation and Performance of InSe Nanosheets/Si Heterojunction Photodetectors

2025-06-16

Bingxu Liu , Shaochang Wang , Z.Z. Li +4 more | ACS Applied Electronic Materials