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- W3164282248 abstract "Despite immense promise, use of transition-metal dichalcogenides (TMDCs), such as MoS2, in electronics applications is hindered by the difficulties in forming effective metal contacts with low resistance. In this work, we propose insertion of a two-dimensional (2D) electride [Ca2N]+(e–) at a metal–TMDC interface to establish proper electrical contact. As a proof of concept, we consider the Au–MoS2 interface due to the presence of a van der Waals gap, which leads to a high tunneling barrier and strong Fermi-level pinning. Density-functional theory calculations predict nearly complete charge transfer from the electride surface states, resulting in a cationic [Ca2N]+ monolayer at the interface and metalization of the negatively doped MoS2. Thus, formation of the Au–Ca2N–MoS2 heterostructure eliminates both the tunneling and Schottky barriers, indicating that inserting a single 2D electride layer at metal–TMDC interfaces is a viable strategy to achieve proper Ohmic contacts in device manufacture." @default.
- W3164282248 created "2021-06-07" @default.
- W3164282248 creator A5057923625 @default.
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- W3164282248 date "2021-05-21" @default.
- W3164282248 modified "2023-09-26" @default.
- W3164282248 title "Improved Charge Transfer and Barrier Lowering across a Au–MoS<sub>2</sub> Interface through Insertion of a Layered Ca<sub>2</sub>N Electride" @default.
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- W3164282248 doi "https://doi.org/10.1021/acs.jpcc.1c02142" @default.
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