Ni and Se co-doping increases the power factor and thermoelectric performance of CoSbS

You, Yonghui; Su, Xianli; Hao, Shiqiang; Liu, Wei; Yan, Yonggao; Zhang, Tingting; Zhang, Min; Wolverton, Chris; Kanatzidis, Mercouri G.; Tang, Xinfeng

doi:10.1039/c8ta05572f

Title: Ni and Se co-doping increases the power factor and thermoelectric performance of CoSbS

Journal Article · Mon Jul 09 00:00:00 EDT 2018 · Journal of Materials Chemistry. A

DOI:https://doi.org/10.1039/c8ta05572f· OSTI ID:1775443

^[1];

^[2]; Hao, Shiqiang ^[3]; Liu, Wei ^[1]; Yan, Yonggao ^[1]; Zhang, Tingting ^[1]; Zhang, Min ^[1]; Wolverton, Chris ^[3];

^[3];

^[1]

Wuhan Univ. of Technology (China)
Wuhan Univ. of Technology (China); Northwestern Univ., Evanston, IL (United States)
Northwestern Univ., Evanston, IL (United States)

In this paper, we present a new investigation on paracostibite (CoSbS), a potential thermoelectric material for power generation in the intermediate temperature range (700–900 K) consisting of earth abundant elements. We report an improved synthesis of single phase materials of Co_1–xNi_xSbS_1–ySe_y (x = 0–0.07, y = 0–0.09) using vacuum melting and annealing followed by SPS processing. The effects of Ni and Se co-doping on the electronic and thermal transport properties of CoSbS were investigated. Doping with Ni on the Co site increases the carrier concentration and moves the Fermi level deep into the conduction band, producing an enhanced power factor. First-principles electronic band structure calculations indicate a multi valley nature of the conduction band where Ni doping leads to n-type behaviour and a sharp increase of the density of states effective mass, enhancing the Seebeck coefficient. Unlike the Ni doping which has little effect on thermal transport, alloying Se on the S site intensifies the alloying scattering resulting in a lower lattice thermal conductivity of 2.4 W m^–1 K^–1 at 900 K for Co_0.93Ni_0.07SbS_0.93Se_0.07. Alloying Se on the S site of the structure further boosts the power factor to 22 μW cm^–1 K^–2 and leads to a maximum ZT of 0.58 at 900 K, which is the best ZT value achieved in the system.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Northwestern Univ., Evanston, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NSFC); 111 Project of China

Grant/Contract Number:: SC0014520; 51521001; 51632006; B07040

OSTI ID:: 1775443

Journal Information:: Journal of Materials Chemistry. A, Vol. 6, Issue 31; ISSN 2050-7488

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 18 works

Citation information provided by
Web of Science

References (71)

Thermopower enhancement in Pb1−xMnxTe alloys and its effect on thermoelectric efficiency Pei, Yanzhong; Wang, Heng; Gibbs, Zachary M. NPG Asia Materials, Vol. 4, Issue 9 https://doi.org/10.1038/am.2012.52	journal	September 2012
Intrinsic low thermal conductivity in weakly ionic rocksalt structures Zhang, Yi; Dong, Jianjun; Kent, Paul R. C. Physical Review B, Vol. 92, Issue 2 https://doi.org/10.1103/PhysRevB.92.020301	journal	July 2015
Rationally Designing High-Performance Bulk Thermoelectric Materials Tan, Gangjian; Zhao, Li-Dong; Kanatzidis, Mercouri G. Chemical Reviews, Vol. 116, Issue 19 https://doi.org/10.1021/acs.chemrev.6b00255	journal	August 2016
Large enhancement of thermoelectric properties in n-type PbTe via dual-site point defects Fu, Liangwei; Yin, Meijie; Wu, Di Energy & Environmental Science, Vol. 10, Issue 9 https://doi.org/10.1039/C7EE01871A	journal	January 2017
Synergistic Strategy to Enhance the Thermoelectric Properties of CoSbS _{1– x} Se _x Compounds via Solid Solution Yao, Wei; Yang, Dingfeng; Yan, Yanci ACS Applied Materials & Interfaces, Vol. 9, Issue 12 https://doi.org/10.1021/acsami.6b12796	journal	March 2017
Origin of the High Performance in GeTe-Based Thermoelectric Materials upon Bi ₂ Te ₃ Doping Wu, Di; Zhao, Li-Dong; Hao, Shiqiang Journal of the American Chemical Society, Vol. 136, Issue 32 https://doi.org/10.1021/ja504896a	journal	August 2014
Natural mineral tetrahedrite as a direct source of thermoelectric materials Lu, Xu; Morelli, Donald T. Physical Chemistry Chemical Physics, Vol. 15, Issue 16 https://doi.org/10.1039/c3cp50920f	journal	January 2013
Lattice Thermal Conductivity of Disordered Semiconductor Alloys at High Temperatures Abeles, B. Physical Review, Vol. 131, Issue 5 https://doi.org/10.1103/PhysRev.131.1906	journal	September 1963
High thermoelectric performance of mechanically robust n-type Bi ₂ Te _3−x Se _x prepared by combustion synthesis Zheng, Gang; Su, Xianli; Liang, Tao Journal of Materials Chemistry A, Vol. 3, Issue 12 https://doi.org/10.1039/C5TA00470E	journal	January 2015
Complex thermoelectric materials Snyder, G. Jeffrey; Toberer, Eric S. Nature Materials, Vol. 7, Issue 2, p. 105-114 https://doi.org/10.1038/nmat2090	journal	February 2008
All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance Zhao, L. D.; Wu, H. J.; Hao, S. Q. Energy & Environmental Science, Vol. 6, Issue 11 https://doi.org/10.1039/c3ee42187b	journal	January 2013
Increasing the Thermoelectric Figure of Merit of Tetrahedrites by Co-Doping with Nickel and Zinc Lu, Xu; Morelli, Donald T.; Xia, Yi Chemistry of Materials, Vol. 27, Issue 2 https://doi.org/10.1021/cm502570b	journal	January 2015
The best thermoelectric. Mahan, G. D.; Sofo, J. O. Proceedings of the National Academy of Sciences, Vol. 93, Issue 15 https://doi.org/10.1073/pnas.93.15.7436	journal	July 1996
Effect of Isotopes on Low-Temperature Thermal Conductivity Slack, Glen A. Physical Review, Vol. 105, Issue 3 https://doi.org/10.1103/PhysRev.105.829	journal	February 1957
Strain field fluctuation effects on lattice thermal conductivity of ZrNiSn-based thermoelectric compounds Yang, J.; Meisner, G. P.; Chen, L. Applied Physics Letters, Vol. 85, Issue 7 https://doi.org/10.1063/1.1783022	journal	August 2004
Specific Heats at Low Temperatures Gopal, E. S. R. https://doi.org/10.1007/978-1-4684-9081-7	book	January 1966
Optimized Thermoelectric Properties of Sb-Doped Mg _{2(1+ z )} Si _{0.5– y} Sn _0.5 Sb _y through Adjustment of the Mg Content Liu, Wei; Tang, Xinfeng; Li, Han Chemistry of Materials, Vol. 23, Issue 23 https://doi.org/10.1021/cm202445d	journal	December 2011
Effect of alloying on thermal conductivity and thermoelectric properties of CoAsS and CoSbS Kaur, Prabhjot; Bera, Chandan Physical Chemistry Chemical Physics, Vol. 19, Issue 36 https://doi.org/10.1039/C7CP05170K	journal	January 2017
Thermal Conductivity Tritt, Terry M. https://doi.org/10.1007/b136496	book	January 2004
Band Engineering of Thermoelectric Materials Pei, Yanzhong; Wang, Heng; Snyder, G. J. Advanced Materials, Vol. 24, Issue 46 https://doi.org/10.1002/adma.201202919	journal	October 2012
Lower limit to the thermal conductivity of disordered crystals Cahill, David G.; Watson, S. K.; Pohl, R. O. Physical Review B, Vol. 46, Issue 10, p. 6131-6140 https://doi.org/10.1103/PhysRevB.46.6131	journal	September 1992
Convergence of Conduction Bands as a Means of Enhancing Thermoelectric Performance of $n$ -Type ${Mg}_{2} {Si}_{1 - x} {Sn}_{x}$ Solid Solutions Liu, Wei; Tan, Xiaojian; Yin, Kang Physical Review Letters, Vol. 108, Issue 16 https://doi.org/10.1103/PhysRevLett.108.166601	journal	April 2012
Cu–Bi–Se-based pavonite homologue: a promising thermoelectric material with low lattice thermal conductivity Cho, Jung Young; Mun, Hyeona; Ryu, Byungki Journal of Materials Chemistry A, Vol. 1, Issue 34 https://doi.org/10.1039/c3ta11457k	journal	January 2013
Extraordinary Thermoelectric Performance Realized in n-Type PbTe through Multiphase Nanostructure Engineering Zhang, Jian; Wu, Di; He, Dongsheng Advanced Materials, Vol. 29, Issue 39 https://doi.org/10.1002/adma.201703148	journal	August 2017
Chalcopyrite CuGaTe2: A High-Efficiency Bulk Thermoelectric Material Plirdpring, Theerayuth; Kurosaki, Ken; Kosuga, Atsuko Advanced Materials, Vol. 24, Issue 27 https://doi.org/10.1002/adma.201200732	journal	June 2012
The impact of neutral impurity concentration on charge drift mobility in p-type germanium Mei, H.; Mei, D. -M.; Wang, G. -J. Journal of Instrumentation, Vol. 11, Issue 12 https://doi.org/10.1088/1748-0221/11/12/P12021	journal	December 2016
High ZT in p-Type (PbTe) _{1–2 x} (PbSe) _x (PbS) _x Thermoelectric Materials Korkosz, Rachel J.; Chasapis, Thomas C.; Lo, Shih-han Journal of the American Chemical Society, Vol. 136, Issue 8 https://doi.org/10.1021/ja4121583	journal	February 2014
Microstructure and thermoelectric properties of CoSb2.75Ge0.25−xTex prepared by rapid solidification Su, Xianli; Li, Han; Yan, Yonggao Acta Materialia, Vol. 60, Issue 8 https://doi.org/10.1016/j.actamat.2012.02.034	journal	May 2012
Thermoelectric properties of CoSb3 Kawaharada, Yoshiyuki; Kurosaki, Ken; Uno, Masayoshi Journal of Alloys and Compounds, Vol. 315, Issue 1-2 https://doi.org/10.1016/S0925-8388(00)01275-5	journal	February 2001
Phonon conduction in PbSe, PbTe, and PbTe $_{1 - x}$ Se $_{x}$ from first-principles calculations Tian, Zhiting; Garg, Jivtesh; Esfarjani, Keivan Physical Review B, Vol. 85, Issue 18 https://doi.org/10.1103/PhysRevB.85.184303	journal	May 2012
Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals Zhao, Li-Dong; Lo, Shih-Han; Zhang, Yongsheng Nature, Vol. 508, Issue 7496, p. 373-377 https://doi.org/10.1038/nature13184	journal	April 2014
Thermoelectric properties of $p$ -type CuInSe $_{2}$ chalcopyrites enhanced by introduction of manganese Yao, Jinlei; Takas, Nathan J.; Schliefert, Megan L. Physical Review B, Vol. 84, Issue 7 https://doi.org/10.1103/PhysRevB.84.075203	journal	August 2011
The panoscopic approach to high performance thermoelectrics Zhao, Li-Dong; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Energy Environ. Sci., Vol. 7, Issue 1 https://doi.org/10.1039/C3EE43099E	journal	January 2014
Modification of the intermediate band and thermoelectric properties in Se-doped CoSbS _1−x Se _x compounds You, Yonghui; Su, Xianli; Liu, Wei RSC Advances, Vol. 7, Issue 55 https://doi.org/10.1039/C7RA05609E	journal	January 2017
WinPLOTR: A Windows Tool for Powder Diffraction Pattern Analysis Roisnel, T.; Rodríquez-Carvajal, Juan Materials Science Forum, Vol. 378-381 https://doi.org/10.4028/www.scientific.net/MSF.378-381.118	journal	October 2001
Strong Reduction of Thermal Conductivity and Enhanced Thermoelectric Properties in CoSbS1-xSex Paracostibite Chmielowski, Radoslaw; Bhattacharya, Sandip; Jacob, Stéphane Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/srep46630	journal	April 2017
The texture related anisotropy of thermoelectric properties in bismuth telluride based polycrystalline alloys Shen, J. J.; Hu, L. P.; Zhu, T. J. Applied Physics Letters, Vol. 99, Issue 12 https://doi.org/10.1063/1.3643051	journal	September 2011
High Thermoelectric Performance and Enhanced Mechanical Stability of p -type Ge _{1– x} Sb _x Te Perumal, Suresh; Roychowdhury, Subhajit; Negi, Devendra S. Chemistry of Materials, Vol. 27, Issue 20 https://doi.org/10.1021/acs.chemmater.5b03434	journal	October 2015
Electronic and thermoelectric properties of CoSbS and FeSbS Parker, David; May, Andrew F.; Wang, Hsin Physical Review B, Vol. 87, Issue 4 https://doi.org/10.1103/PhysRevB.87.045205	journal	January 2013
Thinking Like a Chemist: Intuition in Thermoelectric Materials Zeier, Wolfgang G.; Zevalkink, Alex; Gibbs, Zachary M. Angewandte Chemie International Edition, Vol. 55, Issue 24 https://doi.org/10.1002/anie.201508381	journal	April 2016
Weak electron-phonon coupling contributing to high thermoelectric performance in n-type PbSe Wang, H.; Pei, Y.; LaLonde, A. D. Proceedings of the National Academy of Sciences, Vol. 109, Issue 25 https://doi.org/10.1073/pnas.1111419109	journal	May 2012
Effect of Point Imperfections on Lattice Thermal Conductivity Callaway, Joseph; von Baeyer, Hans C. Physical Review, Vol. 120, Issue 4 https://doi.org/10.1103/PhysRev.120.1149	journal	November 1960
Mechanical properties of nanostructured thermoelectric materials α-MgAgSb Liu, Zihang; Gao, Weihong; Meng, Xianfu Scripta Materialia, Vol. 127 https://doi.org/10.1016/j.scriptamat.2016.08.037	journal	January 2017
High-performance thermoelectric mineral Cu _{12− x} Ni _x Sb ₄ S ₁₃ tetrahedrite Suekuni, Koichiro; Tsuruta, Kojiro; Kunii, Masaru Journal of Applied Physics, Vol. 113, Issue 4 https://doi.org/10.1063/1.4789389	journal	January 2013
High Thermoelectric Performance in Electron-Doped AgBi ₃ S ₅ with Ultralow Thermal Conductivity Tan, Gangjian; Hao, Shiqiang; Zhao, Jing Journal of the American Chemical Society, Vol. 139, Issue 18 https://doi.org/10.1021/jacs.7b02399	journal	May 2017
The Scattering of Low-Frequency Lattice Waves by Static Imperfections Klemens, P. G. Proceedings of the Physical Society. Section A, Vol. 68, Issue 12 https://doi.org/10.1088/0370-1298/68/12/303	journal	December 1955
Mechanochemical synthesis and thermoelectric properties of high quality magnesium silicide Bux, Sabah K.; Yeung, Michael T.; Toberer, Eric S. Journal of Materials Chemistry, Vol. 21, Issue 33 https://doi.org/10.1039/c1jm10827a	journal	January 2011
Doping of thermoelectric PbSe with chemically inert secondary phase nanoparticles Wu, Chao-Feng; Wang, Heng; Yan, Qimin J. Mater. Chem. C, Vol. 5, Issue 41 https://doi.org/10.1039/C7TC03614K	journal	January 2017
New and Old Concepts in Thermoelectric Materials Sootsman, Joseph R.; Chung, Duck Young; Kanatzidis, Mercouri G. Angewandte Chemie International Edition, Vol. 48, Issue 46, p. 8616-8639 https://doi.org/10.1002/anie.200900598	journal	November 2009
Synthesis, processing, and thermoelectric properties of bulk nanostructured bismuth telluride (Bi ₂ Te ₃ ) Saleemi, Mohsin; Toprak, Muhammet S.; Li, Shanghua J. Mater. Chem., Vol. 22, Issue 2 https://doi.org/10.1039/C1JM13880D	journal	January 2012
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Thermoelectric Transport in Cu ₇ PSe ₆ with High Copper Ionic Mobility Weldert, Kai S.; Zeier, Wolfgang G.; Day, Tristan W. Journal of the American Chemical Society, Vol. 136, Issue 34 https://doi.org/10.1021/ja5056092	journal	August 2014
Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems Bell, L. E. Science, Vol. 321, Issue 5895, p. 1457-1461 https://doi.org/10.1126/science.1158899	journal	September 2008
Strained endotaxial nanostructures with high thermoelectric figure of merit Biswas, Kanishka; He, Jiaqing; Zhang, Qichun Nature Chemistry, Vol. 3, Issue 2 https://doi.org/10.1038/nchem.955	journal	January 2011
High Performance Thermoelectricity in Earth-Abundant Compounds Based on Natural Mineral Tetrahedrites Lu, Xu; Morelli, Donald T.; Xia, Yi Advanced Energy Materials, Vol. 3, Issue 3, p. 342-348 https://doi.org/10.1002/aenm.201200650	journal	October 2012
Multiple nanostructures in high performance Cu2S0.5Te0.5 thermoelectric materials Zhu, Chenxi; He, Ying; Lu, Ping Ceramics International, Vol. 43, Issue 10 https://doi.org/10.1016/j.ceramint.2017.03.103	journal	July 2017
High Performance Thermoelectrics from Earth-Abundant Materials: Enhanced Figure of Merit in PbS by Second Phase Nanostructures Zhao, Li-Dong; Lo, Shih-Han; He, Jiaqing Journal of the American Chemical Society, Vol. 133, Issue 50 https://doi.org/10.1021/ja208658w	journal	December 2011
High thermoelectric performance of tellurium doped paracostibite Chmielowski, R.; Bhattacharya, S.; Xie, W. Journal of Materials Chemistry C, Vol. 4, Issue 15 https://doi.org/10.1039/C6TC00410E	journal	January 2016
Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe–SrTe Tan, Gangjian; Shi, Fengyuan; Hao, Shiqiang Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms12167	journal	July 2016
Complex thermoelectric materials Snyder, G. Jeffrey; Toberer, Eric S. Materials for Sustainable Energy https://doi.org/10.1142/9789814317665_0016	book	October 2010
Self-propagating high-temperature synthesis for compound thermoelectrics and new criterion for combustion processing Su, Xianli; Fu, Fan; Yan, Yonggao Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms5908	journal	September 2014
Low-cost, abundant binary sulfides as promising thermoelectric materials Ge, Zhen-Hua; Zhao, Li-Dong; Wu, Di Materials Today, Vol. 19, Issue 4 https://doi.org/10.1016/j.mattod.2015.10.004	journal	May 2016
Novel ternary sulfide thermoelectric materials from high throughput transport and defect calculations Bhattacharya, Sandip; Chmielowski, Radoslaw; Dennler, Gilles Journal of Materials Chemistry A, Vol. 4, Issue 28 https://doi.org/10.1039/C6TA04104C	journal	January 2016
High thermoelectric performance of p-BiSbTe compounds prepared by ultra-fast thermally induced reaction Zheng, Gang; Su, Xianli; Xie, Hongyao Energy & Environmental Science, Vol. 10, Issue 12 https://doi.org/10.1039/C7EE02677C	journal	January 2017
Enhanced thermoelectric properties of bismuth telluride bulk achieved by telluride-spilling during the spark plasma sintering process Ge, Zhen-Hua; Ji, Yi-Hong; Qiu, Yang Scripta Materialia, Vol. 143 https://doi.org/10.1016/j.scriptamat.2017.09.020	journal	January 2018
Bulk nanostructured thermoelectric materials: current research and future prospects Minnich, A. J.; Dresselhaus, M. S.; Ren, Z. F. Energy & Environmental Science, Vol. 2, Issue 5 https://doi.org/10.1039/b822664b	journal	January 2009
Real Structure and Thermoelectric Properties of GeTe-Rich Germanium Antimony Tellurides Rosenthal, Tobias; Schneider, Matthias N.; Stiewe, Christian Chemistry of Materials, Vol. 23, Issue 19 https://doi.org/10.1021/cm201717z	journal	October 2011
Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe Zhao, L.-D.; Tan, G.; Hao, S. Science, Vol. 351, Issue 6269, p. 141-144 https://doi.org/10.1126/science.aad3749	journal	November 2015
The impact of neutral impurity concentration on charge drift mobility in germanium Mei, H.; Mei, D. -M.; Wang, G. -J. arXiv https://doi.org/10.48550/arxiv.1607.03032	text	January 2016
Low effective mass and carrier concentration optimization for high performance p-type Mg _2(1−x) Li _2x Si _0.3 Sn _0.7 solid solutions Zhang, Qiang; Cheng, Long; Liu, Wei Phys. Chem. Chem. Phys., Vol. 16, Issue 43 https://doi.org/10.1039/C4CP03468F	journal	January 2014
Point Defect Engineering of High-Performance Bismuth-Telluride-Based Thermoelectric Materials Hu, Lipeng; Zhu, Tiejun; Liu, Xiaohua Advanced Functional Materials, Vol. 24, Issue 33 https://doi.org/10.1002/adfm.201400474	journal	June 2014

Similar Records

Thermoelectric properties of CoSb{sub 3} and related alloys

Journal Article · Sat Jul 15 00:00:00 EDT 1995 · Journal of Applied Physics · OSTI ID:1775443

Sharp, J W; Jones, E C; Williams, R K; +2 more

Rhombohedral to Cubic Conversion of GeTe via MnTe Alloying Leads to Ultralow Thermal Conductivity, Electronic Band Convergence, and High Thermoelectric Performance

Journal Article · Fri Jan 19 00:00:00 EST 2018 · Journal of the American Chemical Society · OSTI ID:1775443

Zheng, Zheng; Su, Xianli; Deng, Rigui; +9 more

Panoscopic approach for high-performance Te-doped skutterudite

Journal Article · Fri Feb 24 00:00:00 EST 2017 · NPG Asia Materials (Online) · OSTI ID:1775443

Liang, Tao; Su, Xianli; Yan, Yonggao; +6 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE

Title: Ni and Se co-doping increases the power factor and thermoelectric performance of CoSbS

Citation Formats

References (71)

Similar Records

Related Subjects