Un-Gi Jong

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All published works

Action	Title	Year	Authors
+ PDF Chat	Ab Initio Thermodynamic Study of PbI<sub>2</sub> and CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Surfaces in Reaction with CH<sub>3</sub>NH<sub>2</sub> Gas for Perovskite Solar Cells	2022	Yun-Sim Kim Chol-Hyok Ri Yun-Hyok Kye Un-Gi Jong Xingxing Wang Yanhui Zhang Xiao Niu Chol‐Jun Yu
+ PDF Chat	Contrary Effect of B and N Doping into Graphene and Graphene Oxide Heterostructures with MoS<sub>2</sub> on Interface Function and Hydrogen Evolution	2021	Chol-Hyok Ri Yun-Sim Kim Kum-Chol Ri Un-Gi Jong Chol‐Jun Yu
+	Ab Initio Thermodynamic Study of PbI$_2$ and CH$_3$NH$_3$PbI$_3$ Surfaces in Reaction with CH$_3$NH$_2$ Gas for Perovskite Solar Cells	2021	Yun-Sim Kim Chol-Hyok Ri Yun-Hyok Kye Un-Gi Jong Chol‐Jun Yu
+ PDF Chat	Manifestation of the thermoelectric properties in Ge-based halide perovskites	2020	Un-Gi Jong Chol‐Jun Yu Yun-Hyok Kye Song‐Nam Hong Hyon-Gyong Kim
+ PDF Chat	First-principles study on material properties and stability of inorganic halide perovskite solid solutions <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>CsPb</mml:mi><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mi mathvariant="normal">I</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi>Br</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></…	2020	Chol‐Jun Yu Un-Hyok Ko Suk-Gyong Hwang Yun-Sim Kim Un-Gi Jong Yun-Hyok Kye Chol-Hyok Ri
+	Influence of M/A substitution on material properties of intermetallic compounds MSn$_2$ (M = Fe, Co; A = Li, Na): A first-principles study	2020	Chol‐Jun Yu Un-Song Hwang Y. S. Pak Kyonga Rim Chol Ryu Chon-Ryong Mun Un-Gi Jong
+	Contrary Effect of B and N Doping into Graphene and Graphene Oxide Heterostructures with MoS$_2$ on Interface Function and Hydrogen Evolution	2020	Chol-Hyok Ri Yun-Sim Kim Kum-Chol Ri Un-Gi Jong Chol‐Jun Yu
+	Interface Engineering in Hybrid Halide Perovskites Using Lewis Base and Graphene	2019	Chol‐Jun Yu Yun-Hyok Kye Un-Gi Jong Song-Guk Ko Kum-Chol Ri Song-Hyok Choe Jin-Song Kim Gwon-Il Ryu Byol Kim M. Saiful Islam
+ PDF Chat	The maximum interbubble distance in relation to the radius of spherical stable nanobubble in liquid water: A molecular dynamics study	2019	Song-Nam Hong Song-Hyok Choe Un-Gi Jong Myong-San Pak Chol‐Jun Yu
+	Computational Prediction of Structural, Electronic, Optical Properties and Phase Stability of Double Perovskites K2SnX6 (X = I, Br, Cl)	2019	Un-Gi Jong Chol‐Jun Yu Yun-Hyok Kye
+	Interface Engineering in Hybrid Iodide CH3NH3PbI3 Perovskite Using Lewis Base and Graphene towards High Performance Solar Cells	2019	Chol‐Jun Yu Yun-Hyok Kye Un-Gi Jong Song-Guk Ko Kum-Chol Ri Song-Hyok Choe Jin-Song Kim Gwon-Il Ryu Byol Kim
+	Defect physics in $Yb^{3+}$-doped $CaF_2$ from first-principles calculation	2019	Yun-Hyok Kye Chol‐Jun Yu Un-Gi Jong Chol-Nam Sin Weiping Qin
+ PDF Chat	First-principles study of Na<sub>x</sub>TiO<sub>2</sub> with trigonal bipyramid structures: an insight into sodium-ion battery anode applications	2019	Song-Hyok Choe Chol‐Jun Yu Kum-Chol Ri Jing-Song Kim Un-Gi Jong Yun-Hyok Kye Song-Nam Hong
+ PDF Chat	First-principles study on the material properties of the inorganic perovskite <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Rb</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi>Cs</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi>PbI</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math> for solar cell applications	2018	Un-Gi Jong Chol‐Jun Yu Yun-Sim Kim Yun-Hyok Kye Chol-Ho Kim
+	First-principles study on the chemical decomposition of inorganic perovskites \ce{CsPbI3} and \ce{RbPbI3} at finite temperature and pressure	2018	Un-Gi Jong Chol‐Jun Yu Yun-Hyok Kye Chol-Ho Kim Son-Guk Ri Yue Chen
+ PDF Chat	Critical Role of Water in Defect Aggregation and Chemical Degradation of Perovskite Solar Cells	2018	Yun-Hyok Kye Chol‐Jun Yu Un-Gi Jong Yue Chen Aron Walsh
+	The maximum interbubble distance in relation to the radius of spherical stable nanobubble in liquid water: A molecular dynamics study	2018	Song‐Nam Hong Song-Hyok Choe Un-Gi Jong Myong-San Pak Chol‐Jun Yu
+	First-principles study on the chemical decomposition of inorganic perovskites \ce{CsPbI3} and \ce{RbPbI3} at finite temperature and pressure	2018	Un-Gi Jong Chol‐Jun Yu Yun-Hyok Kye Chol-Ho Kim Son-Guk Ri Yue Chen
+ PDF Chat	Influence of water intercalation and hydration on chemical decomposition and ion transport in methylammonium lead halide perovskites	2017	Un-Gi Jong Chol‐Jun Yu Gum-Chol Ri Andrew P. McMahon N. M. Harrison Piers R. F. Barnes Aron Walsh
+	Defects formation in monohydrated and water intercalated perovskite CH$_3$NH$_3$PbI$_3$ and their role in material degradation under humid condition	2017	Un-Gi Jong Chol‐Jun Yu Aron Walsh
+	Role of vacancy point defects and water molecule in the degradation of the halide perovskite \ce{CH3NH3PbI3} through hydration step	2017	Yun-Hyok Kye Chol‐Jun Yu Un-Gi Jong Yue Chen Aron Walsh
+ PDF Chat	Revealing the stability and efficiency enhancement in mixed halide perovskites MAPb(I 1–x Cl x ) 3 with ab initio calculations	2017	Un-Gi Jong Chol‐Jun Yu Yong-Man Jang Gum-Chol Ri Song-Nam Hong Yong-Hyon Pae
+	Influence of water intercalation and hydration on chemical decomposition and ion transport in methylammonium lead halide perovskites	2017	Un-Gi Jong Chol‐Jun Yu Gum-Chol Ri Aron Walsh Piers R. F. Barnes
+	Critical role of water in defect aggregation and chemical degradation of perovskite solar cells	2017	Yun-Hyok Kye Chol‐Jun Yu Un-Gi Jong Yue Chen Aron Walsh
+ PDF Chat	Influence of halide composition on the structural, electronic, and optical properties of mixed CH 3 NH 3 Pb ( I 1 − x Br x ) 3 perovskites calculated using the virtual crystal approximation method	2016	Un-Gi Jong Chol‐Jun Yu Jin-Song Ri Nam-Hyok Kim Guk-Chol Ri
+ PDF Chat	Influence of halide composition on the structural, electronic, and optical properties of mixed<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>CH</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi>NH</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mi>Pb</mml:mi><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mi mathvariant="normal">I</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi>Br</mml:mi><…	2016	Un-Gi Jong Chol‐Jun Yu Jin-Song Ri Nam-Hyok Kim Guk-Chol Ri
+ PDF Chat	First-principles study of ferroelectricity induced by p–d hybridization in ferrimagnetic NiFe 2 O 4	2016	Un-Gi Jong Chol‐Jun Yu Yongsu Park Chong-Suk Ri
+ PDF Chat	Electronic structure and photoabsorption property of pseudocubic perovskites CH3NH3PbX3(X = I, Br) including van der Waals interaction	2016	Chol‐Jun Yu Un-Gi Jong Mun-Hyok Ri Gum-Chol Ri Yong-Hyon Pae
+ PDF Chat	First-principles study of ternary graphite compounds cointercalated with alkali atoms (Li, Na, and K) and alkylamines towards alkali ion battery applications	2016	Gum-Chol Ri Chol‐Jun Yu Jin-Song Kim Song-Nam Hong Un-Gi Jong Mun-Hyok Ri
+	{\it Ab initio} thermodynamic study of NO adsorption on SnO$_2$ (110) surface: a novel atomistic insight of gas sensing	2016	Chol‐Jun Yu Yun-Hyok Kye Un-Gi Jong Chang-Song Choe Kwang-Hui Kim Ju-Myong Han
+	First-principles Study of Crystal Structure and electronic properties of SIB cathode material-NaFe(SO$_4$)$_2$	2016	Chol‐Jun Yu Song-Hyok Choe Gum-Chol Ri Un-Gi Jong Song-Nam Hong
+ PDF Chat	Electronic structure, optical property and improved stability of mixed halide perovskite CH$_3$NH$_3$Pb(I$_{1-x}$Br$_x$)$_3$ by virtual crystal approximation within DFT	2016	Un-Gi Jong Chol‐Jun Yu Nam-Hyok Kim Guk-Chol Ri
+ PDF Chat	Ab initio thermodynamic study of the SnO<sub>2</sub>(110) surface in an O<sub>2</sub> and NO environment: a fundamental understanding of the gas sensing mechanism for NO and NO<sub>2</sub>	2016	Song-Nam Hong Yun-Hyok Kye Chol‐Jun Yu Un-Gi Jong Gum-Chol Ri Chang-Song Choe Kwang-Hui Kim Ju-Myong Han
+	Insertion of alkali atoms into graphite enhanced by cointercalation with alkylamine: mechanism from density functional theory	2015	Gum-Chol Ri Chol‐Jun Yu Jin-Song Kim Song‐Nam Hong Un-Gi Jong Mun-Hyok Ri

Common Coauthors

Coauthor	Papers Together
Chol‐Jun Yu	34
Yun-Hyok Kye	15
Gum-Chol Ri	7
Aron Walsh	6
Chol-Hyok Ri	5
Song-Hyok Choe	4
Song-Nam Hong	4
Chol-Ho Kim	3
Song‐Nam Hong	3
Mun-Hyok Ri	3
Nam-Hyok Kim	3
Guk-Chol Ri	3
Kum-Chol Ri	2
Gwon-Il Ryu	2
Yun-Hyok Kye	2
Kwang-Hui Kim	2
Yun-Sim Kim	2
Kum-Chol Ri	2
Jin-Song Kim	2
Ju-Myong Han	2
Song-Guk Ko	2
Piers R. F. Barnes	2
Jin-Song Ri	2
Yun-Sim Kim	2
Son-Guk Ri	2
Song-Hyok Choe	2
Chang-Song Choe	2
Yong-Hyon Pae	2
Yue Chen	2
Yue Chen	2
Song-Nam Hong	2
Byol Kim	1
Jing-Song Kim	1
Yong-Man Jang	1
Y. S. Pak	1
Chong-Suk Ri	1
Myong-San Pak	1
Weiping Qin	1
Yun-Sim Kim	1
Yanhui Zhang	1
Suk-Gyong Hwang	1
Yun-Sim Kim	1
Chol-Nam Sin	1
Kum-Chol Ri	1
Hyon-Gyong Kim	1
Byol Kim	1
Jin-Song Kim	1
Kyonga Rim	1
M. Saiful Islam	1
Chon-Ryong Mun	1

Commonly Cited References

Action	Title	Year	Authors	# of times referenced
+ PDF Chat	QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials	2009	Paolo Giannozzi Stefano Baroni Nicola Bonini Matteo Calandra Roberto Car Carlo Cavazzoni Davide Ceresoli G. Chiarotti Matteo Cococcioni Ismaïla Dabo	13
+	Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells	2014	Jarvist M. Frost Keith T. Butler Federico Brivio Christopher H. Hendon Mark van Schilfgaarde Aron Walsh	8
+ PDF Chat	Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces	2008	John P. Perdew Adrienn Ruzsinszky Gábor I. Csonka Oleg A. Vydrov Gustavo E. Scuseria Lucian A. Constantin Xiaolan Zhou Kieron Burke	8
+ PDF Chat	Influence of halide composition on the structural, electronic, and optical properties of mixed CH 3 NH 3 Pb ( I 1 − x Br x ) 3 perovskites calculated using the virtual crystal approximation method	2016	Un-Gi Jong Chol‐Jun Yu Jin-Song Ri Nam-Hyok Kim Guk-Chol Ri	7
+ PDF Chat	Electronic structure and photoabsorption property of pseudocubic perovskites CH3NH3PbX3(X = I, Br) including van der Waals interaction	2016	Chol‐Jun Yu Un-Gi Jong Mun-Hyok Ri Gum-Chol Ri Yong-Hyon Pae	6
+ PDF Chat	Influence of halide composition on the structural, electronic, and optical properties of mixed<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>CH</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi>NH</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mi>Pb</mml:mi><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mi mathvariant="normal">I</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi>Br</mml:mi><…	2016	Un-Gi Jong Chol‐Jun Yu Jin-Song Ri Nam-Hyok Kim Guk-Chol Ri	5
+ PDF Chat	Revealing the stability and efficiency enhancement in mixed halide perovskites MAPb(I 1–x Cl x ) 3 with ab initio calculations	2017	Un-Gi Jong Chol‐Jun Yu Yong-Man Jang Gum-Chol Ri Song-Nam Hong Yong-Hyon Pae	5
+ PDF Chat	Electronic structure, optical property and improved stability of mixed halide perovskite CH$_3$NH$_3$Pb(I$_{1-x}$Br$_x$)$_3$ by virtual crystal approximation within DFT	2016	Un-Gi Jong Chol‐Jun Yu Nam-Hyok Kim Guk-Chol Ri	5
+ PDF Chat	Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications	2014	Paolo Umari Edoardo Mosconi Filippo De Angelis	4
+ PDF Chat	Structural and electronic properties of hybrid perovskites for high-efficiency thin-film photovoltaics from first-principles	2013	Federico Brivio Alison Walker Aron Walsh	4
+ PDF Chat	Self‐Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites	2014	Aron Walsh David O. Scanlon Shiyou Chen Xiu Gong Su‐Huai Wei	4
+ PDF Chat	Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3	2015	Carlo Motta Fedwa El‐Mellouhi Sabre Kais Nouar Tabet Fahhad H. Alharbi Stefano Sanvito	4
+ PDF Chat	Degradation mechanism of CH3NH3PbI3 perovskite materials upon exposure to humid air	2016	Masaki Shirayama Masato Kato Tetsuhiko Miyadera Takeshi Sugita Takemasa Fujiseki Shota Hara Hideyuki Kadowaki Daisuke Murata Masayuki Chikamatsu Hiroyuki Fujiwara	3
+ PDF Chat	Spontaneous Octahedral Tilting in the Cubic Inorganic Cesium Halide Perovskites CsSnX<sub>3</sub> and CsPbX<sub>3</sub> (X = F, Cl, Br, I)	2017	Ruoxi Yang Jonathan M. Skelton Da Silva Jarvist M. Frost Aron Walsh	3
+ PDF Chat	Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes	2009	Guillermo Román‐Pérez José M. Soler	3
+ PDF Chat	Direct measurement of the exciton binding energy and effective masses for charge carriers in organic–inorganic tri-halide perovskites	2015	Atsuhiko Miyata Anatolie Mitioglu Paulina Płochocka O. Portugall Jacob Tse‐Wei Wang Samuel D. Stranks Henry J. Snaith R. J. Nicholas	3
+ PDF Chat	Linear and second-order optical response of III-V monolayer superlattices	2003	S. Sharma J. K. Dewhurst Claudia Draxl	3
+ PDF Chat	Influence of water intercalation and hydration on chemical decomposition and ion transport in methylammonium lead halide perovskites	2017	Un-Gi Jong Chol‐Jun Yu Gum-Chol Ri Andrew P. McMahon N. M. Harrison Piers R. F. Barnes Aron Walsh	3
+ PDF Chat	Polarization Dependence of Water Adsorption to CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> (001) Surfaces	2015	Nathan Z. Koocher Diomedes Saldana-Greco Fenggong Wang Shi Liu Andrew M. Rappe	3
+ PDF Chat	The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation	2002	José M. Soler Emilio Artacho Julian D. Gale Alberto Garcı́a Javier Junquera Pablo Ordejón Daniel Sánchez‐Portal	3
+ PDF Chat	Relativistic Solar Cells	2013	Paolo Umari Edoardo Mosconi Filippo De Angelis	3
+ PDF Chat	Potassium intercalation in graphite: A van der Waals density-functional study	2007	Eleni Ziambaras Jesper Kleis Elsebeth Schröder Per Hyldgaard	2
+ PDF Chat	Layer-Dependent Electrocatalysis of MoS<sub>2</sub> for Hydrogen Evolution	2014	Yifei Yu Sheng-Yang Huang Yanpeng Li Stephan N. Steinmann Weitao Yang Linyou Cao	2
+ PDF Chat	Atomically Thin<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>MoS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>: A New Direct-Gap Semiconductor	2010	Kin Fai Mak Changgu Lee James Hone Jie Shan Tony F. Heinz	2
+ PDF Chat	Critical Role of Water in Defect Aggregation and Chemical Degradation of Perovskite Solar Cells	2018	Yun-Hyok Kye Chol‐Jun Yu Un-Gi Jong Yue Chen Aron Walsh	2
+	Intrinsic Instability of the Hybrid Halide Perovskite Semiconductor CH <sub>3</sub> NH <sub>3</sub> PbI <sub>3</sub> <sup>*</sup>	2018	Yueyu Zhang Shiyou Chen Peng Xu Hongjun Xiang Xin-Gao Gong Aron Walsh Su‐Huai Wei	2
+ PDF Chat	First-principles study of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>(</mml:mo><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">BiScO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mi>−</mml:mi><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mo>−</mml:mo><mml:mo>(</mml:mo><mml:mrow><mml:msub><mml:mrow><mml:mi …	2003	Jorge Íñiguez David Vanderbilt L. Bellaïche	2
+ PDF Chat	Two-Dimensional MoS<sub>2</sub>-Graphene-Based Multilayer van der Waals Heterostructures: Enhanced Charge Transfer and Optical Absorption, and Electric-Field Tunable Dirac Point and Band Gap	2017	Liang Xu Wei‐Qing Huang Wangyu Hu Ke Yang Bing‐Xin Zhou Anlian Pan Gui‐Fang Huang	2
+ PDF Chat	Dual Nature of Improper Ferroelectricity in a Magnetoelectric Multiferroic	2007	Silvia Picozzi Kunihiko Yamauchi Biplab Sanyal И. В. Сергиенко Elbio Dagotto	1
+ PDF Chat	Van der Waals density functionals applied to solids	2011	Jiří Klimeš David R. Bowler Angelos Michaelides	1
+ PDF Chat	Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond	2007	Timo Thonhauser Valentino R. Cooper Li Shen Aaron Puzder Per Hyldgaard David C. Langreth	1
+ PDF Chat	<i>Ab-initio</i> simulations of deformation potentials and electron mobility in chemically modified graphene and two-dimensional hexagonal boron-nitride	2011	Samantha Bruzzone Gianluca Fiori	1
+ PDF Chat	Higher-accuracy van der Waals density functional	2010	Kyuho Lee Éamonn Murray Lingzhu Kong Bengt I. Lundqvist David C. Langreth	1
+ PDF Chat	Ferroelectricity Driven by the Noncentrosymmetric Magnetic Ordering in Multiferroic<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>TbMn</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>5</mml:mn></mml:msub></mml:math>: A First-Principles Study	2007	Chenjie Wang Guang‐Can Guo Lixin He	1
+ PDF Chat	Electronic structure and optical band gap determination of NiFe<sub>2</sub>O<sub>4</sub>	2014	Markus Meinert Günter Reiss	1
+ PDF Chat	The role of the interlayer state in the electronic structure of superconducting graphite intercalated compounds	2005	Gábor Cśanyi P. B. Littlewood Andriy H. Nevidomskyy Chris J. Pickard Benjamin D. Simons	1
+ PDF Chat	Multiferroicity in Rare-Earth Nickelates<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>R</mml:mi><mml:msub><mml:mi>NiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>	2009	Gianluca Giovannetti Sanjeev Kumar D. I. Khomskiǐ Silvia Picozzi Jeroen van den Brink	1
+ PDF Chat	Epitaxial strain effects in the spinel ferrites<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>CoFe</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mtext>O</mml:mtext><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>NiFe</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mtext>O…	2010	Daniel Fritsch Claude Ederer	1
+ PDF Chat	<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>CO</mml:mi></mml:mrow></mml:math>oxidation at<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>Pd</mml:mi><mml:mo>(</mml:mo><mml:mn>100</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:math>: A first-principles constrained thermodynamics study	2007	Jutta Rogal Karsten Reuter Matthias Scheffler	1
+ PDF Chat	Long-lived submicrometric bubbles in very diluted alkali halide water solutions	2012	E. Duval S. V. Adichtchev Sergey Sirotkin A. Mermet	1
+ PDF Chat	Magnetically induced ferroelectricity in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Cu</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>MnSnS</mml:mtext></mml:mrow><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Cu</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:…	2010	Tetsuya Fukushima Kunihiko Yamauchi Silvia Picozzi	1
+ PDF Chat	Electrostatics-based finite-size corrections for first-principles point defect calculations	2014	Yu Kumagai Fumiyasu Oba	1
+ PDF Chat	Composition and structure 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">RuO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mn /><mml:mo>(</mml:mo><mml:mn>110</mml:mn><mml:mo>)</mml:mo><mml:mn /></mml:math>surface in an<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:…	2003	Karsten Reuter Matthias Scheffler	1
+ PDF Chat	Ferroelectricity in multiferroic magnetite<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Fe</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mtext>O</mml:mtext><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>driven by noncentrosymmetric<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mtext>Fe</mml:mtext></mml:mrow><mml:mrow><mml:mn>2</mml:mn><mml:mo…	2009	Kunihiko Yamauchi Tetsuya Fukushima Silvia Picozzi	1
+ PDF Chat	Berry-phase theory of proper piezoelectric response	2000	David Vanderbilt	1
+ PDF Chat	Dynamic Equilibrium Mechanism for Surface Nanobubble Stabilization	2008	Michael P. Brenner Detlef Lohse	1
+ PDF Chat	Magnetically induced ferroelectricity in orthorhombic manganites: Microscopic origin and chemical trends	2008	Kunihiko Yamauchi Frank Freimuth Stefan Blügel Silvia Picozzi	1
+ PDF Chat	Knudsen Gas Provides Nanobubble Stability	2011	James R. T. Seddon Harold J. W. Zandvliet Detlef Lohse	1
+ PDF Chat	Projector augmented-wave method	1994	Peter E. Blöchl	1
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