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• W3100593929 abstract "We present an atomistic model for predicting the distribution of doping electric charges in layered molybdenum disulfide (MoS2). 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 charges in layered MoS2 in a self-consistent scheme. The profiles of doping charges in monolayer MoS2 flakes computed by this charge-dipole model are in good agreement with those obtained by density-functional-theory calculations. Using this model, we quantitatively predict the charge enhancement in MoS2 monolayer nanoribbons, with which strong ionic charge-localization effects are shown." @default.
• W3100593929 created "2020-11-23" @default.
• W3100593929 creator A5024931578 @default.
• W3100593929 creator A5028493074 @default.
• W3100593929 creator A5042045119 @default.
• W3100593929 date "2018-09-24" @default.
• W3100593929 modified "2023-10-16" @default.
• W3100593929 title "An atomistic model for the charge distribution in layered MoS2" @default.
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• W3100593929 doi "https://doi.org/10.1063/1.5045505" @default.
• W3100593929 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30278678" @default.
• W3100593929 hasPublicationYear "2018" @default.
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