Research on the adsorption performance of H atoms on the PuO<sub>2</sub>(110) surface with Ga impurities
Abstract In this study, the adsorptive behavior of hydrogen atoms adsorbed onto the (110) surface of plutonium dioxide with Ga impurities was analyzed utilizing DFT. The calculations employed the PAW method and were treated within the GGA+U method to correct for the Coulomb interaction. The results indicate that H atoms exhibit distinct adsorption properties on the PuO 2 (110) surface with Ga impurities compared to those on a pristine PuO 2 (110) surface.
Authors
- Laiyang Li (ORCID: https://orcid.org/0000-0001-8649-7596)
- Ruizhi Qiu (ORCID: https://orcid.org/0000-0002-4232-3452)
- Jinqiang Tang
- Huilong Yu
- Jie Zhou
- Baoming Guo
- Shuaipeng Wang
Institutions
- China Academy of Engineering Physics (CN)
Publication Details
- Journal
- Journal of Physics Conference Series
- Published
- 2025-05-01
- DOI
- https://doi.org/10.1088/1742-6596/3021/1/012022
- Primary Topic
- Nuclear Materials and Properties
- Type
- article
- Field-Weighted Citation Impact
- 0.00