The electronic properties and adsorption mechanism of Agn, Aun (n = 1–4) modified GeSe monolayer towards hazardous gases (H2S, NH3, NO2 and SOF2): A first-principles study
Tao Li, Songlin Hu, Rui Ma, Tianyi Sang, Qiulin Chen, Lie Ma, Yu Chen, Yi Liao, Guolin Yang, Yafei Huang, Ying Deng, Xinliang Jiang
Topics & Concepts
AdsorptionMonolayerMaterials scienceDesorptionDopingDopantSubstrate (aquarium)Density functional theoryMoleculeChemical engineeringChemical physicsPhysical chemistryNanotechnologyComputational chemistryOrganic chemistryChemistryOptoelectronicsGeologyEngineeringOceanography2D Materials and ApplicationsGas Sensing Nanomaterials and SensorsAdvanced Thermoelectric Materials and Devices