Promotion mechanisms of LiBH <sub>4</sub> dehydrogenation dominated by charge redistribution
Li vacancies and transition metals doping cause the loss of electrons in B–H covalent bonds and the rising of electrons in the antibonding orbitals of the B–H bonds, respectively, leading to the weakening of the B–H bond strength.
Authors
- Zhengyang Gao (ORCID: https://orcid.org/0000-0002-0599-0037)
- Tingting Yao (ORCID: https://orcid.org/0000-0002-0231-6047)
- Han Ge (ORCID: https://orcid.org/0000-0002-7981-0019)
- Meng Huang (ORCID: https://orcid.org/0000-0001-9511-3064)
- Weijie Yang (ORCID: https://orcid.org/0000-0002-0232-1129)
- Shuai Dong (ORCID: https://orcid.org/0000-0002-6910-6319)
- Jun Sun (ORCID: https://orcid.org/0000-0002-2583-6600)
- Yanfeng Liu (ORCID: https://orcid.org/0000-0003-2633-4765)
- Feiyang Liu (ORCID: https://orcid.org/0000-0002-0228-4567)
- Qiyong Chen (ORCID: https://orcid.org/0000-0003-3866-6855)
Institutions
- North China Electric Power University (CN)
- Guizhou Electric Power Design and Research Institute (CN)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2024-11-25
- DOI
- https://doi.org/10.1039/d4ta06584k
- Citations
- 5
- Primary Topic
- Hydrogen Storage and Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.59