Enhanced dehydrogenation of LiBH4 with Ti or/and F additives: Insight from first-principles calculations
Yong Huang, Xiaohua Mo, Chunyan Hu, Yu Ma, Xiaoli Zuo, Rui Zhou, Weiqing Jiang
Topics & Concepts
DehydrogenationHydrogen storageDissociation (chemistry)NonmetalDensity functional theoryHydrogenMaterials scienceMetalDopingDesorptionPhysical chemistryIonInorganic chemistryComputational chemistryChemistryCatalysisOrganic chemistryMetallurgyOptoelectronicsAdsorptionHydrogen Storage and MaterialsSuperconductivity in MgB2 and AlloysHybrid Renewable Energy Systems