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; 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.
2016
发表期刊PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN1463-9076
卷号18期号:21页码:14580—14587
文章类型期刊文献
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.
关键词Ray-absorption Spectroscopy Misfit-layered Cobaltite Cuprate Perovskites Local-structure Ca3co4-xmxo9 m Spin-entropy Substitution Enhancement Ceramics Diagram
DOI10.1039/c6cp00819d
收录类别SCI
语种英语
WOS记录号WOS:000378102700052
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/25781
专题中科院上海应用物理研究所2011-2018年
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.
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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.
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