Theoretical study of the interaction between metallic fission products and defective graphite
文献类型：期刊论文
| 作者 | Xia, DQ; Ren, CL; Zhang, W; Han, H; Wang, CB; Zhang, X; Cheng, C; Huai, P |
| 刊名 | COMPUTATIONAL MATERIALS SCIENCE
 |
| 出版日期 | 2015 |
| 卷号 | 106页码:129—134 |
| 关键词 | MINIMUM ENERGY PATHS ELASTIC BAND METHOD SADDLE-POINTS ELECTRON-GAS GRAPHENE 1ST-PRINCIPLES |
| 英文摘要 | The adsorption and diffusion behaviors of the metallic fission products of Cs, Sr, Ag on the defective graphite surface with double vacancy and Stone-Wales defect are theoretically studied by using density functional theory. Our results show that the Cs, Sr and Ag adatoms are adsorbed preferably at the defect areas of graphite surface. Electronic structure analysis indicates that the defects enhance the adsorption of metallic fission products. Further study on the diffusion properties also proves that the adatoms prefer to diffuse toward the defective area. These processes can readily occur due to zero or ignorable diffusion energy barriers of different kinds of point defects, indicating that point defects can serve as the trap sites for the metallic fission products. (C) 2015 Elsevier B.V. All rights reserved. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2015-12-24 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/24601]  |
| 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 |
| 推荐引用方式 GB/T 7714 | Xia, DQ,Ren, CL,Zhang, W,et al. Theoretical study of the interaction between metallic fission products and defective graphite[J]. COMPUTATIONAL MATERIALS SCIENCE,2015,106:129—134. |
| APA | Xia, DQ.,Ren, CL.,Zhang, W.,Han, H.,Wang, CB.,...&Huai, P.(2015).Theoretical study of the interaction between metallic fission products and defective graphite.COMPUTATIONAL MATERIALS SCIENCE,106,129—134. |
| MLA | Xia, DQ,et al."Theoretical study of the interaction between metallic fission products and defective graphite".COMPUTATIONAL MATERIALS SCIENCE 106(2015):129—134. |
入库方式： OAI收割
来源：上海应用物理研究所
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