Theoretical XANES spectra for C-76 isomers
文献类型：期刊论文
| 作者 | Zhao T(赵挺); Gao B(高斌); Liu L(刘蕾); Ye Q(叶青); Chu WS(储旺盛) ; Wu ZY(吴自玉); Zhao, T; Gao, B; Liu, L; Ye, Q
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| 刊名 | CHINESE PHYSICS C
 |
| 出版日期 | 2009 |
| 卷号 | 33期号:11页码:954-959 |
| 关键词 | fullerene C-76 isomer calculated XANES spectra local structure dependence |
| 通讯作者 | [Zhao Ting ; Gao Bin ; Liu Lei ; Ye Qing ; Chu Wang-Sheng ; Wu Zi-Yu] CAS, Beijing Synchrotron Radiat Facil, Inst High Energy Phys, Beijing 100049, Peoples R China ; [Wu Zi-Yu] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230026, Peoples R China ; [Wu Zi-Yu] Chinese Acad Sci, Theoret Phys Ctr Sci Facil, Beijing 100049, Peoples R China |
| 英文摘要 | Two isolated pentagon rule satisfying isomers Of C-76 are optimized. And 1(D-2) isomer is reconfirmed to be the relative more stable one. The X-ray absorption near-edge structure (XANES) spectra are theoretically characterized by the hybrid density functional theory (DFT) method in combination with the full core-hole potentials. Isomer identification of XANES spectra for C-76 is found and XANES. spectra dependence on local structure of fullerene is discussed. |
| 学科主题 | Physics |
| 类目[WOS] | Physics, Nuclear ; Physics, Particles & Fields |
| 研究领域[WOS] | Physics |
| 原文出处 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000271893700004 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/238800]  |
| 专题 | 高能物理研究所_多学科研究中心 高能物理研究所_粒子天体物理中心 高能物理研究所_核技术应用研究中心 |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Zhao T,Gao B,Liu L,et al. Theoretical XANES spectra for C-76 isomers[J]. CHINESE PHYSICS C,2009,33(11):954-959. |
| APA | 赵挺.,高斌.,刘蕾.,叶青.,储旺盛.,...&Wu, ZY.(2009).Theoretical XANES spectra for C-76 isomers.CHINESE PHYSICS C,33(11),954-959. |
| MLA | 赵挺,et al."Theoretical XANES spectra for C-76 isomers".CHINESE PHYSICS C 33.11(2009):954-959. |
入库方式： OAI收割
来源：高能物理研究所
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