The impact of vacancy defective MgH2 (001)/(110) surface on the dehydrogenation of MgH2@Ni-CNTs: A mechanistic investigation
Congwen Duan, Xinya Wang, Haimei Wang, Mengmeng Wu, Yuchen Fan, Jinhui Wu, Ting Qu, Bogu Liu, Lianxi Hu, Poqian Liang, Fei Wang, Ying Wu, Fei Wang, Ying Wu
Topics & Concepts
DehydrogenationVacancy defectDissociation (chemistry)Materials scienceDesorptionKineticsDensity functional theoryHydrogen storageChemical physicsChemical engineeringComputational chemistryPhysical chemistryChemistryCrystallographyCatalysisComposite materialAdsorptionAlloyOrganic chemistryEngineeringPhysicsQuantum mechanicsHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionHybrid Renewable Energy Systems