First-principles study on the dehydrogenation thermodynamics and kinetics of Ti, Zr, V and Nb doped MgH2
Bo Han, Jianchuan Wang, Jun Tan, Yifang Ouyang, Yong Du, Lixian Sun
Topics & Concepts
DehydrogenationThermodynamicsKineticsDopingMaterials sciencePhysical chemistryChemistryPhysicsCatalysisOrganic chemistryQuantum mechanicsOptoelectronicsHydrogen Storage and MaterialsSuperconductivity in MgB2 and AlloysAmmonia Synthesis and Nitrogen Reduction