First-Principles Study of Titanium-Doped B7 Cluster for High Capacity Hydrogen Storage
Haishen Huang, Guoxu Li, Zhenqiang Li, Tingyan Zhou, Ping Li, Xiude Yang, Bo Wu, Franck Rabilloud · 2024
Read First-Principles Study of Titanium-Doped B7 Cluster for High Capacity Hydrogen Storage by Haishen Huang, Guoxu Li, Zhenqiang Li, Tingyan Zhou, Ping Li, Xiude Yang, Bo Wu, Franck Rabilloud (2024) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-11643889.txt.
Description
Huang and co-authors compute in 2024 the traits of a tiny cluster of seven boron atoms with one titanium atom, as a candidate for storing hydrogen. First principles calculations covered its shape, stability, and electronic traits. Motion simulations showed the cluster stays stable near room conditions. A hydrogen molecule landing on its surface can split apart to form a hydride.
The titanium atom can hold up to five hydrogen molecules, reaching a storage share of seven and a half percent by weight. The grip strength sits in a range suited to release under mild heat and pressure, which suits reversible storage. Two bonding effects explain the grip. The authors present the cluster as a promising storage unit.
Catalog record
| CREATOR | Haishen Huang, Guoxu Li, Zhenqiang Li, Tingyan Zhou, Ping Li, Xiude Yang, Bo Wu, Franck Rabilloud |
|---|---|
| YEAR | 2024 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 31 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |