Niobium doped MoS2 with double S vacancy defects as gas sensing materials for sulfur-containing gas molecules: A first-principle investigation
Jijun Ding, Lincheng Miao, Haixia Chen, Kewei Gao, Junyi Fan, Haiwei Fu
Topics & Concepts
AdsorptionChemistryVacancy defectHOMO/LUMOMoleculeDensity functional theoryDopingNiobiumDensity of statesWork functionBand gapFermi levelChemical physicsComputational chemistryInorganic chemistryPhysical chemistryCrystallographyOrganic chemistryCondensed matter physicsElectrodeElectronPhysicsQuantum mechanics2D Materials and ApplicationsGas Sensing Nanomaterials and SensorsMXene and MAX Phase Materials