Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes
文献类型：期刊论文
| 作者 | Wu, XJ; Fei, ZJ; Liu, WG; Tan, J; Wang, GH; Xia, DQ; Deng, K; Chen, XK; Xiao, DT; Wu, SW |
| 刊名 | NUCLEAR SCIENCE AND TECHNIQUES
 |
| 出版日期 | 2019 |
| 卷号 | 30期号:4页码:— |
| 关键词 | METAL-FREE CATALYST STORAGE ATOM CO GRAPHITE MOLECULES EXCHANGE HYDRIDES DEFECTS GAS |
| ISSN号 | 1001-8042 |
| DOI | 10.1007/s41365-019-0584-4 |
| 文献子类 | 期刊论文 |
| 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 H-2 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 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/31458]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 作者单位 | 1.Univ South China, Sch Math & Phys, Hengyang 421001, Peoples R China; 2.Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China; 3.Sun Yat Sen Univ, Sino French Inst Nucl Engn & Technol, Zhuhai 519082, Guangdong, Peoples R China; 4.Chinese Acad Sci, Key Lab Neutron & Radiat Safety, Inst Nucl Energy Safety Technol, Hefei 230031, Anhui, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wu, XJ,Fei, ZJ,Liu, WG,et al. Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes[J]. NUCLEAR SCIENCE AND TECHNIQUES,2019,30(4):—. |
| APA | Wu, XJ.,Fei, ZJ.,Liu, WG.,Tan, J.,Wang, GH.,...&Liu, W.(2019).Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes.NUCLEAR SCIENCE AND TECHNIQUES,30(4),—. |
| MLA | Wu, XJ,et al."Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes".NUCLEAR SCIENCE AND TECHNIQUES 30.4(2019):—. |
入库方式： OAI收割
来源：上海应用物理研究所
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