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

Hossein Tavakol, Hamed Haghshenas

2025Computational Condensed Matter9 citationsDOI

Topics & Concepts

GraphenePhosphineAdsorptionNatural bond orbitalDopingMaterials scienceSimple (philosophy)Density functional theoryChemical physicsNanotechnologyComputational chemistryChemistryPhysical chemistryOptoelectronicsOrganic chemistryPhilosophyCatalysisEpistemologyGraphene research and applicationsGas Sensing Nanomaterials and SensorsBoron and Carbon Nanomaterials Research
Comparative DFT, NBO, and AIM studies on the sensing and adsorption abilities of simple and doped graphene nanosheets for phosphine gas | Litcius