Electronic and magnetic performance of MoS2 monolayer via Tc & Nb impurities defect and water adsorption
Hari Neupane,
Prakash Khatri,
Arun Devkota
et al.
Abstract:This study examined the effect of Tc & Nb impurity atoms on MoS2 (Tc-MoS2 & Nb-MoS2 ), and adsorption of water molecule on impurities defected MoS2 (Tc-W-MoS2 & Nb-W-MoS2) material from first-principles calculations. By the estimation of their ground state energy and binding energy, they are stable 2D materials. From band structure and density of states (DoS) calculations, Tc & Nbimpurities affect the nature of pristine MoS2. It is found that Tc-MoS2 has n-type & Nb-MoS2 has p-type semicond… Show more
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