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- W3090201062 abstract "Abstract The contact resistance at metal/two-dimensional (2D) semiconductor heterojunctions is currently a major issue for the integration of 2D materials in new generations of nanoelectronic devices. In this chapter, the contact resistance at graphene/MoS2 and 1T/2H-MoS2 heterostructures is computed using first-principles simulations, based on density-functional theory and the nonequilibrium Green's function method. The contact resistance, RcW, is found to strongly depend on the edge contact symmetry/termination at graphene/MoS2 contacts, varying between about 2 × 102 and 2 × 104 Ω μm. This large variation in RcW is correlated to the presence or absence of dangling bond defects and/or polar bonds at the interface. On the other hand, the large computed contact resistance at pristine 1T/2H-MoS2 contacts, in the range of 3–4 × 104 Ω μm, is related to the large electron energy barrier (about 0.8 eV) at the interface. The functionalization of the metallic 1T-MoS2 contact by various adsorbates is predicted to decrease the contact resistance by about two orders of magnitude, being promising for device applications." @default.
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- W3090201062 date "2020-01-01" @default.
- W3090201062 modified "2023-09-25" @default.
- W3090201062 title "Contact resistance at 2D metal/semiconductor heterostructures" @default.
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- W3090201062 doi "https://doi.org/10.1016/b978-0-12-821495-4.00008-7" @default.
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