Evidence of an interlayer charge transfer route in BiCu1-xSeO
文献类型：期刊论文
| 作者 | 徐伟;Xu, W; Liu, Y; Zhao, LD; An, PF; Lin, YH; Marcelli, A; Wu, ZY; An PF(安鹏飞); Wu ZY(吴自玉) |
| 刊名 | JOURNAL OF MATERIALS CHEMISTRY A
 |
| 出版日期 | 2013 |
| 卷号 | 1期号:39页码:12154-12158 |
| 英文摘要 | The introduction of copper vacancies in BiCuSeO makes it a promising thermoelectric material in the intermediate temperature range. To clarify mechanisms associated with charge and heat transport in this layered compound, we present calculations of the electronic structures of both the ground and excited states by combining density functional theory (DFT) and X-ray Absorption Near-Edge Spectroscopy (XANES). As copper vacancies are introduced into the structure, the DFT calculations point out dramatic changes to its electronic structure, in agreement with the XANES measurements and theoretical simulations. To understand the enhancement of the transport properties, the charge transfer, the projected density of states and the electronic configurations of the copper-deficient BiCu1-xSeO system have been calculated. The Data point out that Cu vacancies may significantly enhance the charge transfer among the Bi and Se atoms, leaving Cu and O atoms unaffected. The results provide clear evidence for an interlayer charge transfer route involving Bi-Se chains which occur in this layered system. |
| 学科主题 | Chemistry; Energy & Fuels; Materials Science |
| 收录类别 | SCI |
| WOS记录号 | WOS:000324553400020 |
| 公开日期 | 2016-05-03 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/224341]  |
| 专题 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | 徐伟；Xu, W,Liu, Y,Zhao, LD,et al. Evidence of an interlayer charge transfer route in BiCu1-xSeO[J]. JOURNAL OF MATERIALS CHEMISTRY A,2013,1(39):12154-12158. |
| APA | 徐伟；Xu, W.,Liu, Y.,Zhao, LD.,An, PF.,Lin, YH.,...&吴自玉.(2013).Evidence of an interlayer charge transfer route in BiCu1-xSeO.JOURNAL OF MATERIALS CHEMISTRY A,1(39),12154-12158. |
| MLA | 徐伟；Xu, W,et al."Evidence of an interlayer charge transfer route in BiCu1-xSeO".JOURNAL OF MATERIALS CHEMISTRY A 1.39(2013):12154-12158. |
入库方式： OAI收割
来源：高能物理研究所
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。