Nanoscale heterogeneity in thermoelectrics: the occurrence of phase separation in Fe-doped Ca3Co4O9
文献类型：期刊论文
| 作者 | Xu, W; Butt, S; Zhu, YC; Zhou, J; Liu, Y; Yu, MJ; Marcelli, A; Lan, JL; Lin, YH; Nan, CW |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2016 |
| 卷号 | 18期号:21页码:14580—14587 |
| 关键词 | RAY-ABSORPTION SPECTROSCOPY MISFIT-LAYERED COBALTITE CUPRATE PEROVSKITES LOCAL-STRUCTURE CA3CO4-XMXO9 M SPIN-ENTROPY SUBSTITUTION ENHANCEMENT CERAMICS DIAGRAM |
| ISSN号 | 1463-9076 |
| 通讯作者 | Xu, W (reprint author), Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100049, Peoples R China. ; Xu, W (reprint author), Rome Int Ctr Mat Sci Superstripes, RICMASS, Via Sabelli 119A, I-00185 Rome, Italy. ; Nan, CW (reprint author), Tsinghua Univ, Sch Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R China. |
| 英文摘要 | The misfit layered cobaltate thermoelectrics are good candidates for high temperature thermoelectric applications. Ca3Co4O9 is a typical compound of this family, which consists of rock salt Ca2CoO3 slabs alternating with hexagonal CoO2 slabs with a large lattice mismatch along the b axis. Each slab is 0.3-0.5 nm thick and shows an inherent structural heterogeneity at the nanoscale. The latter is a key parameter that affects the electrical transport and the heat flow in these misfit structured thermoelectrics. To clarify the physical origin of the thermoelectric performance of iron doped Ca3Co4O9 we combined X-ray near-edge absorption spectroscopy (XANES) and quantum modeling using density functional theory. In contrast to single-site doping, the iron doping first occurs at the Co1 site of the rock salt stab at low doping while at higher doping it prefers the Ca1 site of the rock salt slab. Doping at the Ca1 site modifies the electronic structure tuning the nanoscale structural heterogeneity. This mechanism may open a new route to optimizing the thermoelectric performance of misfit layered thermoelectrics. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000378102700052 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/25781]  |
| 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 | Xu, W,Butt, S,Zhu, YC,et al. Nanoscale heterogeneity in thermoelectrics: the occurrence of phase separation in Fe-doped Ca3Co4O9[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18(21):14580—14587. |
| APA | Xu, W.,Butt, S.,Zhu, YC.,Zhou, J.,Liu, Y.,...&Nan, CW.(2016).Nanoscale heterogeneity in thermoelectrics: the occurrence of phase separation in Fe-doped Ca3Co4O9.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,18(21),14580—14587. |
| MLA | Xu, W,et al."Nanoscale heterogeneity in thermoelectrics: the occurrence of phase separation in Fe-doped Ca3Co4O9".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.21(2016):14580—14587. |
入库方式： OAI收割
来源：上海应用物理研究所
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