Revealing the role of grain boundaries in magnesium-based hydrogen storage: insights into adsorption and dissociation
A reversed-volcano relation between H 2 dissociation barriers and grain boundary angle in Mg is revealed. The χ gem descriptor explains this trend, informing microstructure design for improved hydrogen storage kinetics.
Authors
- Zhengyang Gao (ORCID: https://orcid.org/0000-0002-0599-0037)
- Kun Guo (ORCID: https://orcid.org/0000-0001-9805-8152)
- Xiaohou Shao
- Xiaotian Tang (ORCID: https://orcid.org/0009-0006-5317-5615)
- Zhiwei Miao (ORCID: https://orcid.org/0000-0002-8488-8670)
- Weijie Yang (ORCID: https://orcid.org/0000-0002-0232-1129)
- Zhuoran Xu (ORCID: https://orcid.org/0000-0001-8722-1137)
- Yuxuan Liu (ORCID: https://orcid.org/0000-0002-0653-8149)
- Tao Yao (ORCID: https://orcid.org/0000-0001-8699-8294)
- Jingxuan Cai (ORCID: https://orcid.org/0000-0001-9976-8084)
- M.F. Shu
Institutions
- North China Electric Power University (CN)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5ta04858c
- Citations
- 1
- Primary Topic
- Hydrogen Storage and Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.52