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• W4288045884 endingPage "154390" @default.
• W4288045884 startingPage "154390" @default.
• W4288045884 abstract "• The interfacial properties of monolayer WS 2 in contact with pristine and modified MXene ML (Nb 2 C/Nb 2 CH 2 / Nb 2 CF 2 / Nb 2 CCl 2 ) are investigated. • These four systems can be classified as three types according to Schottky barriers in the vertical direction. • The quantum transport properties are simulated through constructing two-probe field effect transistors models with MXene as electrodes. • The n -type Schottky contacts are formed for all systems in the lateral direction. Seeking a proper electrode contact for two-dimensional transition-metal dichalcogenides is significant for ultrathin electronic devices. According to the first-principles computations and quantum transport simulations, the interfacial features of monolayer (ML) WS 2 are systematically verified in contact with pristine and modified ML MXene (Nb 2 C/Nb 2 CH 2 /Nb 2 CF 2 /Nb 2 CCl 2 ). Based on the computed tunneling and Schottky barriers in the vertical direction, these four systems can be classified into three types. The WS 2 /Nb 2 C system belongs to type-I, which represents significant interfacial coupling and serious metallization of WS 2 . The WS 2 /Nb 2 CH 2 system belongs to type-II, in which the intermediate interfacial coupling and a few gap states are observed, forming quasi-Ohmic contact. The WS 2 /Nb 2 CX 2 (X = F, Cl) systems belong to type-III, which exhibits weak interfacial interaction, forming n -type Schottky contact containing a barrier height of 0.60 eV and 0.17 eV for X = F and Cl, respectively. Furthermore, the quantum transport properties are simulated through constructing two-probe field-effect transistors models with MXene as electrodes. The n -type Schottky contacts are constructed for all systems in the lateral orientation. Our work provides an imperative understanding of the contact and transport features of ML WS 2 and will improve the experimental construction of WS 2 -based electronic devices." @default.
• W4288045884 created "2022-07-27" @default.
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• W4288045884 date "2022-11-01" @default.
• W4288045884 modified "2023-09-27" @default.
• W4288045884 title "Exploration of electrical contact type in two-dimensional WS2/Nb2CX2 (X = H, F, Cl) heterostructures" @default.
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• W4288045884 doi "https://doi.org/10.1016/j.apsusc.2022.154390" @default.
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