近期，我院研究生武亞可、吳富英（通訊）、張劉挺（通訊）等的研究成果“Constructing a favorable microenvironment for robust hydrogen storage in MgH₂ through synergistic cooperation with Mn and Mg₂Ni”在《Rare Metals》（IF=11）上發(fā)表。

論文簡介如下：

MgH₂ is particularly noteworthy in metal solid-state hydrogen storage households due to its outstanding hydrogen storage capacity (7.6 wt%, 100g/L). Nevertheless, the pronounced electrostatic attraction between Mg²⁺ and H^- stabilizes MgH₂, trapping hydrogen in a low-energy configuration from which it is reluctant to escape. Weakening the electrostatic attraction between Mg²⁺ ions and H^- ions in MgH₂ is vital for improving the kinetic performance of MgH₂ for hydrogen storage. Herein, a multivalent microenvironment is synergistically created by Mn and Mg₂Ni to break the stable structure of MgH₂, enabling rapid and stable de/hydrogenation performance. Specifically, the catalyzed MgH₂ system rapidly emits 5.98 wt% H₂ at 265 °C within just 20 min and swiftly absorbs 6.24 wt% H₂ at 150 °C in a mere 10 min. Microscopic characterization shows that a tight interface is formed between Ni and Mn₂O₃, which provides a stable anchor point for the formation of hydrogen pumps. Additionally, the multivalency of Mn and abundant oxygen vacancies accelerate the electron transfer and provide the shortest path for H dissociation. Moreover, Density functional theory (DFT) indicates that Mg-H is extracted from 0.173 to 0.204 nm after modification, achieving a reduced decomposition energy of MgH₂. Besides, 97.8% reversible hydrogen storage capacity was maintained after 30 cycles, presenting prominent potential for practical.