Design of Bifunctional Nb/V Interfaces for Improving Reversible Hydrogen Storage Performance of MgH2

• DOI: 10.1002/sstr.202200119
• Publication Date: 2022-08-10T19:38:13Z
• Authors: Yang Meng; Shunlong Ju; Wei Chen; Xiaowei Chen; Guanglin Xia; Dalin Sun; Xuebin Yu
• Keywords: Magnesium hydride

While MgH 2 has been widely regarded as a promising solid‐state hydrogen storage material, the high operating temperature and sluggish kinetics pose major bottleneck for its practical application. Herein, V 4 Nb 18 O 55 microspheres composed of nanoparticles with size tens nanometers are fabricated to promote H desorption absorption properties , which results in uniform formation Nb/V interfaces based on molecular scale during reversible process. It is experimentally theoretically demonstrated that building not only preserves ability weakening Mg‐H bonds but also alleviates strong adsorption capacity metallic toward atoms, leading relative energy barrier whole dehydrogenation process 0.5 eV, 0.22 0.43 eV lower than V, respectively. As result, under addition microspheres, onset decreased 165 °C, 125 °C bulk complete hydrogenation Mg could be realized even at room temperature, while almost no observed 50 °C.