Vertical Dielectric of Conducting Functionalized Few-Layer MoS2

In electrostatics, the electric fieldinside a classical conductoris zero because there are no free charges inside the conductor. Ourfirst-principles linear response theory calculations found that conducting(metallic) one-side-hydrogenated MoS2 with thin thicknessexhibits dielectric screening behavior because it has electric polarizationlike a dielectric. Moreover, the screening of one-side-hydrogenatedMoS(2) remained unchanged as the hydrogenated concentrationvaried. In contrast, metallic both-side-hydrogenated MoS2 bilayers exhibit metallic screening behavior. We also showed thatfunctionalized MoS2 bilayers with -SH groups giveconsistent results with those of hydrogenated ones. Our results indicatethat thin materials with small thicknesses can function as dielectrics,and functionalization can effectively adjust their dielectric constantsin a manner similar to their distribution. This can be utilized fordeveloping novel devices relying on dielectric screening.

Automated summary

This paragraph discusses the reason for the zero electric field inside a classical conductor in electrostatics, and introduces the role of metallic thin-layered molybdenum disulfide and functionalized molybdenum disulfide in dielectric screening, as well as the effect of functionalization on their dielectric constants.