An atomistic model for the charge distribution in layered MoS 2

We present an atomistic model for predicting the distribution of doping electric charges in layered molybdenum disulfide (MoS ). This model mimics the charge around each ion as a net Gaussian-spatially distributed charge plus an induced dipole, and is able to predict the distribution of doping charg...

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Bibliographic Details
Published inThe Journal of chemical physics Vol. 149; no. 12; p. 124102
Main Authors Yang, Yida, Devel, Michel, Wang, Zhao
Format Journal Article
LanguageEnglish
Published United States 28.09.2018
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