Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes
文献类型：期刊论文
| 作者 | Wu Xijun1; Fei Zejie2; Liu Wenguan2; Tan Jie3; Wang Guanghua2; Xia Dongqin4; Deng Ke2; Chen Xuekun1; Xiao Detao1; Wu Shengwei2 |
| 刊名 | Nuclear Science and Techniques
 |
| 出版日期 | 2019 |
| 卷号 | 30 |
| 关键词 | Hydrogen Graphene Single vacancy Double vacancy Adsorption Desorption First-principles calculation |
| ISSN号 | 1001-8042 |
| 其他题名 | Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes |
| 英文摘要 | Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes were studied by means of first-principles calculations. The structure and stability of continuous hydrogenation in single vacancy were investigated. Several new stable structures were found, along with their corresponding energy barriers. In double-vacancy graphene, the preferred sites of H atoms were identified, and H2 molecule desorption and adsorption of from/on were calculated from the energy barriers. This work provides a systematic and comprehensive understanding of hydrogen behavior on defected graphene. |
| 语种 | 英语 |
| CSCD记录号 | CSCD:6475296 |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/96162]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 作者单位 | 1.School of Mathematics and Physics, University of South China 2.Shanghai Institute of Applied Physics, Chinese Academy of Sciences 3.Shanghai Institute of Applied Physics, Chinese Academy of Sciences 4.Sino-French Institute of Nuclear Engineering and Technology, Sun Yat-Sen University 5.Shanghai Institute of Applied Physics, Chinese Academy of Sciences 6.Institute of Nuclear Energy Safety Technology, Chinese Academy of Sciences 7.Shanghai Institute of Applied Physics, Chinese Academy of Sciences 8.School of Mathematics and Physics, University of South China 9.School of Mathematics and Physics, University of South China 10.Shanghai Institute of Applied Physics, Chinese Academy of Sciences |
| 推荐引用方式 GB/T 7714 | Wu Xijun,Fei Zejie,Liu Wenguan,et al. Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes[J]. Nuclear Science and Techniques,2019,30. |
| APA | Wu Xijun.,Fei Zejie.,Liu Wenguan.,Tan Jie.,Wang Guanghua.,...&Liu Wei.(2019).Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes.Nuclear Science and Techniques,30. |
| MLA | Wu Xijun,et al."Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes".Nuclear Science and Techniques 30(2019). |
入库方式： OAI收割
来源：合肥物质科学研究院
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。