Using first-principles theory, we investigated the most stable configuration for the Rh dopant on a MoSe 2 monolayer, and the interaction of the Rh-doped MoSe 2 (Rh-MoSe 2 ) monolayer with four toxic gases (CO, NO, NO 2 and SO 2 ) to exploit the potential application of the Rh-MoS 2 monolayer as a gas sensor or adsorbent.
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Cui et al. (2018) studied this question.
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