Understanding and unlocking the role of V in boosting the reversible hydrogen storage performance of MgH<sub>2</sub>
Meng Yang, Jian Zhang, Shunlong Ju, Yaxiong Yang, Zhenglong Li, Fang Fang, Dalin Sun, Guanglin Xia, Hongge Pan, Xuebin Yu
Abstract
The strong bonding interactions between V and H lead to the decrease of the energy required for H 2 desorption from MgH 2 to 49.5 kJ mol −1 , 10.9 kJ mol −1 lower than that of pristine MgH 2 .
Topics & Concepts
Hydrogen storageDesorptionBoosting (machine learning)Activation energyMaterials scienceHydrogenChemistryComputer sciencePhysical chemistryAdsorptionOrganic chemistryMachine learningHydrogen Storage and MaterialsHybrid Renewable Energy SystemsAmmonia Synthesis and Nitrogen Reduction