Interface charge modification–defect engineering–H2O-Mg2+ microenvironment synergistic catalysis for full-process kinetic optimization of MgH2 dehydrogenation
Year: 2026
Type: article
Abstract: Decoupling the multifaceted kinetic limitations in the dehydrogenation process of magnesium hydride (MgH 2 ) is crucial for its large-scale commercial application. This study proposes a synergistic catalysis strategy of “interface charge modification–defect engineering–H 2 O-Mg 2+ microenvironment”. In this strategy, the charge back-transfer effect induced by interface charge modification weakens the Mg-H bonds overall and promotes bulk hydrogen migration; defect engineering removes the hydrogen transport limitation of the catalyst; the reverse hydrogen spillover effect triggered by the H 2 O-Mg 2+ microenvironment significantly reduces the H 2 recombination and desorption energy barrier from 2.07 eV to 0.49 eV. This catalytic strategy systematically optimizes the H migration, interface transport, and surface reaction kinetics during the dehydrogenation process of MgH 2 , providing a generalizable theoretical strategy for the full-process kinetic optimization of metal hydride hydrogen storage materials.
Source: Journal of Magnesium and Alloys
Institution: Southwest University
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,500
OpenAlex ID: W7222816152