Comparative DFT, NBO, and AIM studies on the sensing and adsorption abilities of simple and doped graphene nanosheets for phosphine gas

Comparative DFT, NBO, and AIM studies on the sensing and adsorption abilities of simple and doped graphene nanosheets for phosphine gas
Conference/Journal Name
Computational Condensed Matter
doi
10.1016/j.cocom.2025.e01046
Article type
Journal
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