The role of magnesium on properties of La3-xMgxNi9 (x=0, 0.5, 1.0, 1.5, 2.0) hydrogen storage alloys from first-principles calculations
Yujie Chen, Xiaohua Mo, Yong Huang, Chunyan Hu, Xiaoli Zuo, Qi Wei, Rui Zhou, Xiangyu Li, Weiqing Jiang
Topics & Concepts
Hydrogen storageDisproportionationCASTEPHydrogenMaterials scienceIntermetallicMagnesiumMetalPhysical chemistryThermodynamicsChemistryAlloyCrystallographyInorganic chemistryElectronic structureComputational chemistryMetallurgyCatalysisPhysicsBiochemistryOrganic chemistryHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionMagnesium Alloys: Properties and Applications