Adsorption and diffusion behaviors of H2, H2S, NH3, CO and H2O gases molecules on MoO3 monolayer: A DFT study
Ke Xu, Ningbo Liao, Beirong Zheng, Hongming Zhou
Topics & Concepts
MonolayerDiffusionAdsorptionMolybdenum trioxideDensity functional theoryMoleculeChemical physicsGaseous diffusionFermi levelPhysicsThermodynamicsMolybdenumPhysical chemistryNanotechnologyMaterials scienceChemistryElectrodeInorganic chemistryQuantum mechanicsElectronGas Sensing Nanomaterials and Sensors2D Materials and ApplicationsTransition Metal Oxide Nanomaterials