Nanoscale heterogeneity in thermoelectrics: the occurrence of phase separation in Fe-doped Ca3Co4O9

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	Nanoscale heterogeneity in thermoelectrics: the occurrence of phase separation in Fe-doped Ca3Co4O9
	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
	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
内容类型	期刊论文
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.