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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

2020Physics Letters A58 citationsDOI

Topics & Concepts

MonolayerDiffusionAdsorptionMolybdenum trioxideDensity functional theoryMoleculeChemical physicsGaseous diffusionFermi levelPhysicsThermodynamicsMolybdenumPhysical chemistryNanotechnologyMaterials scienceChemistryElectrodeInorganic chemistryQuantum mechanicsElectronGas Sensing Nanomaterials and Sensors2D Materials and ApplicationsTransition Metal Oxide Nanomaterials
Adsorption and diffusion behaviors of H2, H2S, NH3, CO and H2O gases molecules on MoO3 monolayer: A DFT study | Litcius