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题名:
Nanoscale heterogeneity in thermoelectrics: the occurrence of phase separation in Fe-doped Ca3Co4O9
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
DOI: 10.1039/c6cp00819d
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.
文章类型: 期刊文献
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
ISSN号: 1463-9076
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.sinap.ac.cn/handle/331007/25781
Appears in Collections:中科院上海应用物理研究所2011-2017年_期刊论文

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Recommended Citation:
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,2016-01-01,18(21):14580—14587.
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