Adsorption and optical properties of H2S, CH4, NO, and SO2 gas molecules on arsenene: a DFT study
Arshiya Abooali, Fatemeh Safari
Topics & Concepts
MoleculeAdsorptionMaterials scienceDensity functional theoryNon-equilibrium thermodynamicsFermi levelMolecular physicsChemical physicsCondensed matter physicsAtomic physicsPhysicsChemistryComputational chemistryPhysical chemistryThermodynamicsQuantum mechanicsElectronMolecular Junctions and NanostructuresGas Sensing Nanomaterials and SensorsAdvanced Thermoelectric Materials and Devices