The effects and mechanisms of two-dimensional V2C and V2CT2 (T = O, F, and OH) on hydrogen adsorption and dissociation properties of MgH2: First-principles calculations
Junyu Chen, Zhiwen Wang, Zhipeng Meng, Zhiqiang Lan, Haizhen Liu, Hua Ning, Peilin Qing, Jin Guo
Topics & Concepts
Dissociation (chemistry)AdsorptionHydrogenChemistryPhysical chemistryComputational chemistryThermodynamicsPhysicsOrganic chemistryHydrogen Storage and MaterialsSuperconductivity in MgB2 and AlloysMXene and MAX Phase Materials