Abstract
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/G changed as a result of Cr doping. The improvements in the absorption energy and recovery time indicated that Cr-doped As/G heterostructures are suitable for fabricating reusable gas sensors for detecting NH3 molecules.
Funder
University of Henan Province
Program for Innovative Research
Research Training Program of School of Physics and Engineering
National Natural Science Foundation of China
Natural Science Foundation of Henan
Science Foundation
Subject
Condensed Matter Physics,Mathematical Physics,Atomic and Molecular Physics, and Optics
Cited by
1 articles.
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