Theoretical insights on hydrogen activation and diffusion behaviour on ZnO (1010) surface
DFT simulations reveal multiple H 2 activation routes and anisotropic hydrogen diffusion on the ZnO (101̄0) surface during hydrogenation reactions.
Authors
- Zezhong Miao
- Lingzhao Kong
- Shenggang Li
- Yuqian Jin
- Xing Zhu
Institutions
- University of California, Irvine (US)
- ShanghaiTech University (CN)
- Suzhou University of Science and Technology (CN)
- Shanghai Advanced Research Institute (CN)
Publication Details
- Journal
- Catalysis Science & Technology
- Published
- 2025-12-23
- DOI
- https://doi.org/10.1039/d5cy01291k
- Primary Topic
- Catalysts for Methane Reforming
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China
- Chinese Academy of Sciences
- Science and Technology Commission of Shanghai Municipality
- Program of Shanghai Academic Research Leader