The effect of vacancy defective Mg (0001) surface on hydrogenation of Ni-Mg-CNTs: A mechanistic investigation
Congwen Duan, Mengmeng Wu, Xinya Wang, Dong Fu, Yuling Zhang, Wei Lv, Lianxi Hu, Ming Li, Fei Wang, Ying Wu, Ying Wu
Topics & Concepts
Vacancy defectAntibonding molecular orbitalMaterials scienceDissociation (chemistry)AdsorptionChemical physicsElectronKineticsDiffusionComputational chemistryPhysical chemistryChemical engineeringCrystallographyChemistryThermodynamicsAtomic orbitalEngineeringQuantum mechanicsPhysicsHydrogen Storage and MaterialsMXene and MAX Phase MaterialsCatalysis and Hydrodesulfurization Studies