The high-energy multi-group HEST1.0 library based on ENDF/B-VII.0: development, verification and preliminary application
文献类型：期刊论文
| 作者 | Wu, J ; Chen, YX ; Wang, WJ ; Yin, W ; Liang, TJ ; Jia, XJ |
| 刊名 | CHINESE PHYSICS C
 |
| 出版日期 | 2012 |
| 卷号 | 36期号:3页码:275 |
| 关键词 | PRELIMINARY SHIELDING ANALYSIS |
| ISSN号 | 1674-1137 |
| 通讯作者 | Wu, J (reprint author), N China Elect Power Univ, Sch Nucl Sci & Engn, Beijing 102206, Peoples R China. |
| 中文摘要 | We calculate the configurations, electronic structures, vibrational properties at the coronene/Ru(0001) interface, and adsorption of a single Pt atom on coronene/Ru(0001) based on density functional theory calculations. The geometric structures and electronic structures of the coronene on Ru(0001) are compared with those of the graphene/Ru(0001). The results show that the coronene/Ru(0001) can be a simplified model system used to describe the interaction between graphene and ruthenium. Further calculations of the vibrational properties of coronene molecule adsorbed on Ru(0001) suggest that the phonon properties of differently corrugated regions of graphene on Ru(0001) are different. This model system is also used to investigate the selective adsorption of Pt atoms on graphene/Ru(0001). The configurations of Pt on coronene/Ru(0001) with the lowest binding energy give clues to explain the experimental observation that a Pt cluster selectively adsorbs on the second highest regions of graphene/Ru(0001). This work provides a simple model for understanding the adsorption properties and vibrational properties of graphene on Ru(0001) substrate. |
| 收录类别 | SCI |
| 资助信息 | National Natural Science Foundation of China [10875042]; Fundamental Research Funds for The Central Universities [10ZG08]; Program for New Century Excellent Talents in University |
| 语种 | 英语 |
| 公开日期 | 2013-09-23 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/45203]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wu, J,Chen, YX,Wang, WJ,et al. The high-energy multi-group HEST1.0 library based on ENDF/B-VII.0: development, verification and preliminary application[J]. CHINESE PHYSICS C,2012,36(3):275. |
| APA | Wu, J,Chen, YX,Wang, WJ,Yin, W,Liang, TJ,&Jia, XJ.(2012).The high-energy multi-group HEST1.0 library based on ENDF/B-VII.0: development, verification and preliminary application.CHINESE PHYSICS C,36(3),275. |
| MLA | Wu, J,et al."The high-energy multi-group HEST1.0 library based on ENDF/B-VII.0: development, verification and preliminary application".CHINESE PHYSICS C 36.3(2012):275. |
入库方式： OAI收割
来源：物理研究所
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