Gas sensing properties of defective tellurene on the nitrogen oxides: A first-principles study
Ziwei Xu, Zhenzhen Shi, Mingyuan Wang, Ruofei Song, Xiangzhao Zhang, Guiwu Liu, Guanjun Qiao
Topics & Concepts
Vacancy defectDensity functional theoryFermi levelNOxAdsorptionNitrogenOxideMaterials scienceMoleculeDensity of statesElectronic structureChemistryComputational chemistryPhysical chemistryCondensed matter physicsCrystallographyPhysicsMetallurgyQuantum mechanicsCombustionElectronOrganic chemistry2D Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesGas Sensing Nanomaterials and Sensors