Computational evaluation of Ga-doped phagraphene as a work function-based sensor for detection of some air pollutant molecules
Negar Sheikhsoleimani, Morteza Rouhani, Hamid Saeidian
Topics & Concepts
HOMO/LUMOWork functionMoleculeDopingDensity functional theoryChemical physicsFermi levelWork (physics)Band gapDensity of statesMaterials scienceChemistryComputational chemistryNanotechnologyPhysicsOptoelectronicsOrganic chemistryThermodynamicsCondensed matter physicsElectronQuantum mechanicsLayer (electronics)Molecular Junctions and NanostructuresGraphene research and applicationsGas Sensing Nanomaterials and Sensors