A DFT study on the hydrogen storage performance of MoS2 monolayers doped with group 8B transition metals
Shulin Yang, Yanan Liu, Gui Lei, Yulin Xie, Liping Peng, Huoxi Xu, Zhao Wang, Haoshuang Gu
Topics & Concepts
MonolayerAdsorptionDensity functional theoryDopingSubstrate (aquarium)MoleculeHydrogen storageTransition metalHydrogenMaterials sciencePhysical chemistryChemistryChemical physicsComputational chemistryInorganic chemistryNanotechnologyCatalysisOrganic chemistryGeologyOceanographyOptoelectronicsHydrogen Storage and MaterialsMXene and MAX Phase MaterialsElectrocatalysts for Energy Conversion