2023
DOI: 10.1088/1402-4896/acf006
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Effects of vacancies and doping on the sensitivity of arsenene/graphene heterostructure toward NH3

Shiyang Ye,
Qingxiao Zhou,
Weiwei Ju
et al.

Abstract: Using the first-principle calculation method, this study analyzed the geometrical properties, electron transfer, magnetic properties, and recovery time of NH3 molecules of pristine, vacancy-defected, and doped (N, Al, S, Ti, Cr, Co) arsenene/graphene (As/G) heterostructures. Introducing vacancy defects did not enhance the activity of the As/G heterostructure. However, the adsorption ability of the structure doped with N, Al, Cr, and Co atoms on NH3 molecules was enhanced. Furthermore, the magnetic state of As/… Show more

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