Rh-doped MoSe2 as a toxic gas scavenger: a first-principles study

Cui, H; Zhang, GZ; Zhang, XX; Tang, J

Zhang, XX (reprint author), Chongqing Univ, State Key Lab Power Transmiss Equipment & Syst Se, Chongqing 400044, Peoples R China.; Zhang, XX (reprint author), Wuhan Univ, Sch Elect Engn, Wuhan 430072, Hubei, Peoples R China.

NANOSCALE ADVANCES, 2019; 1 (2): 772

Abstract

Using first-principles theory, we investigated the most stable configuration for the Rh dopant on a MoSe2 monolayer, and the interaction of the Rh-dop......

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