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Tailoring and functionalizing the graphitic-like GaN and GaP nanostructures as selective sensors for NO, NO2, and NH3 adsorbing: a DFT study

Fatemeh Mollaamin, Majid Monajjemi

2023Journal of Molecular Modeling70 citationsDOI

Topics & Concepts

Band gapDensity functional theoryvan der Waals forceMoleculeAdsorptionChemical physicsMaterials scienceElectron transferDensity of statesChemistryComputational chemistryPhotochemistryPhysical chemistryCondensed matter physicsOptoelectronicsOrganic chemistryPhysicsGas Sensing Nanomaterials and SensorsZnO doping and propertiesGraphene research and applications
Tailoring and functionalizing the graphitic-like GaN and GaP nanostructures as selective sensors for NO, NO2, and NH3 adsorbing: a DFT study | Litcius