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Effects of Intercalating Polysilanes into MoS2 Interlaminar Spaces on Transport Property

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Effects of intercalating, undoped, B-doped and P-doped polysilanes (PSi) into molybdenum disulfide (MoS2) interlaminar spaces on transport property were investigated in this study by using density functional theory (DFT) and non-equilibrium Green's function (NEGF) methods. It was found that embarking undoped PSi could enhance conductivity. The B-doping and P-doping upon PSi had significant influences on transport properties of PSi/MoS2 intercalation compounds. The B-doping further increased the conductivity by introducing typical p-type semiconductor character while the P-doping introduced typical n-type semiconductor feature. Heavy doping was not beneficial in increasing the conductivity. Moreover, sandwiching a large content of undoped or doped PSi was favorable in enhancing the conductivity. Overall, intercalating light B-doped or P-doped PSi into MoS2 interlaminar spaces with large amount is an effective strategy for achieving p- or n-type semiconductor nanocomposites.
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Document Type: Short Communication

Publication date: September 1, 2017

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  • Nanoscience and Nanotechnology Letters (NNL) is a multidisciplinary peer-reviewed journal consolidating nanoscale research activities in all disciplines of science, engineering and medicine into a single and unique reference source. NNL provides the means for scientists, engineers, medical experts and technocrats to publish original short research articles as communications/letters of important new scientific and technological findings, encompassing the fundamental and applied research in all disciplines of the physical sciences, engineering and medicine.
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