Study on hydrogen adsorption on WO3(001) surface by density functional theory calculation
Pingguo Jiang, Xiangbiao Yu, Yiyu Xiao, Su Zhao, Wangjun Peng
Topics & Concepts
Density functional theoryHydrogenAdsorptionTungstenMoleculeChemical physicsInterstitial defectOxideLattice diffusion coefficientMaterials scienceChemistrySurface diffusionDiffusionHydrogen storageHydrogen atomHydrogen bondActivation energyPhysical chemistryComputational chemistryThermodynamicsDopingEffective diffusion coefficientMetallurgyOrganic chemistryPhysicsOptoelectronicsRadiologyMagnetic resonance imagingAlkylMedicineAdvanced materials and compositesMetal and Thin Film MechanicsGas Sensing Nanomaterials and Sensors