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Possible doping strategies for MoS<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>monolayers: An<i>ab initio</i>study
Density functional theory is used to systematically study the electronic properties of doped MoS${}_{2}$ monolayers, where the dopants are incorporated both via S/Mo substitution or as adsorbates. Among the possible substitutional dopants at the Mo site, Nb is identified as suitable $p$-type dopant, while Re is the donor with the …