Enhanced thermoelectric performance in Cu-intercalated BiTeI by compensation weakening induced mobility improvement
Abstract
The low weighted carrier mobility has long been considered to be the key challenge for improvement of thermoelectric (TE) performance in BiTeI. The Rashba-effect-induced two-dimensional density of states in this bulk semiconductor is beneficial for thermopower enhancement, which makes it a prospective compound for TE applications. In this report, we show that intercalation of minor Cu-dopants can substantially alter the equilibria of defect reactions, selectively mediate the donor-acceptor compensation, and tune the defect concentration in the carrier conductive network. Consequently, the potential fluctuations responsible for electron scattering are reduced and the carrier mobility in BiTeI can be enhanced by a factor of two to three between 10 K and 300 K. The carrier concentration can also be optimized by tuning the Te/I composition ratio, leading to higher thermopower in this Rashba system. Cu-intercalation in BiTeI gives rise to higher power factor, slightly lower lattice thermal conductivity, and consequently improved figure of merit. Compared with pristine BiTe0.98I1.02, the TE performance in Cu0.05BiTeI reveals a 150% and 20% enhancement at 300 and 520 K, respectively. Ultimately, these results demonstrate that defect equilibria mediated by selective doping in complex TE and energy materials could be an effective approach to carrier mobility and performancemore »
- Authors:
-
- Chinese Academy of Sciences, Shanghai (China); Univ. of Washington, Seattle, WA (United States); Shanghai Univ., Shanghai (China)
- Univ. of Washington, Seattle, WA (United States); Shanghai Univ., Shanghai (China)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Univ. of Washington, Seattle, WA (United States)
- Chinese Academy of Sciences, Shanghai (China); Shanghai Univ., Shanghai (China)
- Chinese Academy of Sciences, Shanghai (China)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
- Sponsoring Org.:
- National Science Foundation (NSF); National Basic Research Program of China; USDOE Office of Science (SC)
- OSTI Identifier:
- 1259710
- Alternate Identifier(s):
- OSTI ID: 1265785
- Grant/Contract Number:
- FC26-04NT42278; 2013CB632501; 11234012; 1235535; AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Scientific Reports
- Additional Journal Information:
- Journal Volume: 5; Journal ID: ISSN 2045-2322
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; electronic properties and materials; semiconductors; 36 MATERIALS SCIENCE
Citation Formats
Wu, Lihua, Yang, Jiong, Chi, Miaofang, Wang, Shanyu, Wei, Ping, Zhang, Wenqing, Chen, Lidong, and Yang, Jihui. Enhanced thermoelectric performance in Cu-intercalated BiTeI by compensation weakening induced mobility improvement. United States: N. p., 2015.
Web. doi:10.1038/srep14319.
Wu, Lihua, Yang, Jiong, Chi, Miaofang, Wang, Shanyu, Wei, Ping, Zhang, Wenqing, Chen, Lidong, & Yang, Jihui. Enhanced thermoelectric performance in Cu-intercalated BiTeI by compensation weakening induced mobility improvement. United States. https://doi.org/10.1038/srep14319
Wu, Lihua, Yang, Jiong, Chi, Miaofang, Wang, Shanyu, Wei, Ping, Zhang, Wenqing, Chen, Lidong, and Yang, Jihui. Wed .
"Enhanced thermoelectric performance in Cu-intercalated BiTeI by compensation weakening induced mobility improvement". United States. https://doi.org/10.1038/srep14319. https://www.osti.gov/servlets/purl/1259710.
@article{osti_1259710,
title = {Enhanced thermoelectric performance in Cu-intercalated BiTeI by compensation weakening induced mobility improvement},
author = {Wu, Lihua and Yang, Jiong and Chi, Miaofang and Wang, Shanyu and Wei, Ping and Zhang, Wenqing and Chen, Lidong and Yang, Jihui},
abstractNote = {The low weighted carrier mobility has long been considered to be the key challenge for improvement of thermoelectric (TE) performance in BiTeI. The Rashba-effect-induced two-dimensional density of states in this bulk semiconductor is beneficial for thermopower enhancement, which makes it a prospective compound for TE applications. In this report, we show that intercalation of minor Cu-dopants can substantially alter the equilibria of defect reactions, selectively mediate the donor-acceptor compensation, and tune the defect concentration in the carrier conductive network. Consequently, the potential fluctuations responsible for electron scattering are reduced and the carrier mobility in BiTeI can be enhanced by a factor of two to three between 10 K and 300 K. The carrier concentration can also be optimized by tuning the Te/I composition ratio, leading to higher thermopower in this Rashba system. Cu-intercalation in BiTeI gives rise to higher power factor, slightly lower lattice thermal conductivity, and consequently improved figure of merit. Compared with pristine BiTe0.98I1.02, the TE performance in Cu0.05BiTeI reveals a 150% and 20% enhancement at 300 and 520 K, respectively. Ultimately, these results demonstrate that defect equilibria mediated by selective doping in complex TE and energy materials could be an effective approach to carrier mobility and performance optimization.},
doi = {10.1038/srep14319},
journal = {Scientific Reports},
number = ,
volume = 5,
place = {United States},
year = {Wed Sep 23 00:00:00 EDT 2015},
month = {Wed Sep 23 00:00:00 EDT 2015}
}
Web of Science
Works referenced in this record:
Development and challenges of LiFePO 4 cathode material for lithium-ion batteries
journal, January 2011
- Yuan, Li-Xia; Wang, Zhao-Hui; Zhang, Wu-Xing
- Energy Environ. Sci., Vol. 4, Issue 2
Thin-film silicon solar cell technology
journal, March 2004
- Shah, A. V.; Schade, H.; Vanecek, M.
- Progress in Photovoltaics: Research and Applications, Vol. 12, Issue 23
Thermoelectric Materials: New Approaches to an Old Problem
journal, March 1997
- Mahan, Gerald; Sales, Brian; Sharp, Jeff
- Physics Today, Vol. 50, Issue 3
Extremely high electron mobility in a phonon-glass semimetal
journal, April 2013
- Ishiwata, S.; Shiomi, Y.; Lee, J. S.
- Nature Materials, Vol. 12, Issue 6
Past achievements and future challenges in the development of optically transparent electrodes
journal, November 2012
- Ellmer, Klaus
- Nature Photonics, Vol. 6, Issue 12
Convergence of electronic bands for high performance bulk thermoelectrics
journal, May 2011
- Pei, Yanzhong; Shi, Xiaoya; LaLonde, Aaron
- Nature, Vol. 473, Issue 7345, p. 66-69
Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems
journal, September 2008
- Bell, L. E.
- Science, Vol. 321, Issue 5895, p. 1457-1461
Rational Design of Advanced Thermoelectric Materials
journal, February 2013
- Yang, Jihui; Yip, Hin-Lap; Jen, Alex K. -Y.
- Advanced Energy Materials, Vol. 3, Issue 5
Complex thermoelectric materials
journal, February 2008
- Snyder, G. Jeffrey; Toberer, Eric S.
- Nature Materials, Vol. 7, Issue 2, p. 105-114
Charge-Compensated Compound Defects in Ga-containing Thermoelectric Skutterudites
journal, February 2013
- Qiu, Yuting; Xi, Lili; Shi, Xun
- Advanced Functional Materials, Vol. 23, Issue 25
Complex doping of group 13 elements In and Ga in caged skutterudite CoSb3
journal, February 2015
- Xi, Lili; Qiu, Yuting; Zheng, Shan
- Acta Materialia, Vol. 85
Electrical properties and microcosmic study on compound defects in Ga-containing thermoelectric skutterudites
journal, January 2014
- Qiu, Yuting; Xing, Juanjuan; Gao, Xiang
- Journal of Materials Chemistry A, Vol. 2, Issue 28
High Performance Mg 2 (Si,Sn) Solid Solutions: a Point Defect Chemistry Approach to Enhancing Thermoelectric Properties
journal, April 2014
- Jiang, Guangyu; He, Jian; Zhu, Tiejun
- Advanced Functional Materials, Vol. 24, Issue 24
Point Defect Engineering of High-Performance Bismuth-Telluride-Based Thermoelectric Materials
journal, June 2014
- Hu, Lipeng; Zhu, Tiejun; Liu, Xiaohua
- Advanced Functional Materials, Vol. 24, Issue 33
Heavily Doped p-Type PbSe with High Thermoelectric Performance: An Alternative for PbTe
journal, February 2011
- Wang, Heng; Pei, Yanzhong; LaLonde, Aaron D.
- Advanced Materials, Vol. 23, Issue 11, p. 1366-1370
Optimum Carrier Concentration in n-Type PbTe Thermoelectrics
journal, May 2014
- Pei, Yanzhong; Gibbs, Zachary M.; Gloskovskii, Andrei
- Advanced Energy Materials, Vol. 4, Issue 13
Anisotropic Multicenter Bonding and High Thermoelectric Performance in Electron-Poor CdSb
journal, January 2015
- Wang, Shanyu; Yang, Jiong; Wu, Lihua
- Chemistry of Materials, Vol. 27, Issue 3
Introduction to Thermoelectricity
book, January 2010
- Goldsmid, H. Julian
- Springer Series in Materials Science, Vol. 121
Deformation Potentials and Mobilities in Non-Polar Crystals
journal, October 1950
- Bardeen, J.; Shockley, W.
- Physical Review, Vol. 80, Issue 1
Ionized-Impurity Scattering Mobility of Electrons in Silicon
journal, September 1959
- Long, Donald; Myers, John
- Physical Review, Vol. 115, Issue 5
Influence of negatively and positively charged scattering centers on electron mobility in semiconductor inversion layers: A Monte Carlo study
journal, August 1995
- Gámiz, F.; López‐Villanueva, J. A.
- Journal of Applied Physics, Vol. 78, Issue 3
Electron mobility and free‐carrier absorption in GaAs: Determination of the compensation ratio
journal, February 1979
- Walukiewicz, W.; Lagowski, L.; Jastrzebski, L.
- Journal of Applied Physics, Vol. 50, Issue 2
On the electronic structure and thermoelectric properties of BiTeBr and BiTeI single crystals and of BiTeI with the addition of BiI3 and CuI
journal, September 2012
- Kulbachinskii, Vladimir A.; Kytin, Vladimir G.; Kudryashov, Alexey A.
- Journal of Solid State Chemistry, Vol. 193
Galvanomagnetic and thermoelectric properties of BiTeBr and BiTeI single crystals and their electronic structure
journal, December 2010
- Kulbachinskii, V. A.; Kytin, V. G.; Lavrukhina, Z. V.
- Semiconductors, Vol. 44, Issue 12
Enhanced low-temperature thermoelectrical properties of BiTeCl grown by topotactic method
journal, April 2014
- Jacimovic, J.; Mettan, X.; Pisoni, A.
- Scripta Materialia, Vol. 76
Two-dimensional thermoelectrics with Rashba spin-split bands in bulk BiTeI
journal, November 2014
- Wu, Lihua; Yang, Jiong; Wang, Shanyu
- Physical Review B, Vol. 90, Issue 19
Thermopower enhancement in quantum wells with the Rashba effect
journal, November 2014
- Wu, Lihua; Yang, Jiong; Wang, Shanyu
- Applied Physics Letters, Vol. 105, Issue 20
Electrical conductivity of BiTeI crystals
journal, February 1981
- Horák, J.; Tichý, L.; Lošťák, P.
- Physica Status Solidi (a), Vol. 63, Issue 2
Preparation and basic physical properties of BiTeI single crystals
journal, November 1978
- Dich, Nguyêñ Tât; Lošťák, P.; Horák, J.
- Czechoslovak Journal of Physics, Vol. 28, Issue 11
Magnetotransport in copper-doped noncentrosymmetric BiTeI
journal, August 2013
- Wang, Chang-Ran; Tung, Jen-Chuan; Sankar, R.
- Physical Review B, Vol. 88, Issue 8
Crystal Structures of Bismuth Tellurohalides BiTeX (X = Cl, Br, I) from X-Ray Powder Diffraction Data
journal, February 1995
- Shevelkov, A. V.; Dikarev, E. V.; Shpanchenko, R. V.
- Journal of Solid State Chemistry, Vol. 114, Issue 2
Phase Diagram of System (Bi 2 Te 3 )-(BiI 3 )and Crystal Structure of BiTeI
journal, February 1977
- Tomokiyo, Akihisa; Okada, Toshihiro; Kawano, Shigeaki
- Japanese Journal of Applied Physics, Vol. 16, Issue 2
Enhancement of the Thermoelectric Performance of Polycrystalline In 4 Se 2.5 by Copper Intercalation and Bromine Substitution
journal, September 2013
- Luo, Yubo; Yang, Junyou; Li, Gen
- Advanced Energy Materials, Vol. 4, Issue 2
EELS analysis of cation valence states and oxygen vacancies in magnetic oxides
journal, October 2000
- Wang, Z. L.; Yin, J. S.; Jiang, Y. D.
- Micron, Vol. 31, Issue 5
Atomic and electronic structures of the SrVO 3 -LaAlO 3 interface
journal, August 2011
- Chi, Miaofang; Mizoguchi, Teruyasu; Martin, Lane W.
- Journal of Applied Physics, Vol. 110, Issue 4
High-Density Chemical Intercalation of Zero-Valent Copper into Bi 2 Se 3 Nanoribbons
journal, April 2012
- Koski, Kristie J.; Cha, Judy J.; Reed, Bryan W.
- Journal of the American Chemical Society, Vol. 134, Issue 18
The Hall effect in polycrystalline and powdered semiconductors
journal, November 1980
- Orton, J. W.; Powell, M. J.
- Reports on Progress in Physics, Vol. 43, Issue 11
Electrical Properties of -Type Germanium
journal, February 1954
- Debye, P. P.; Conwell, E. M.
- Physical Review, Vol. 93, Issue 4
Quantum oscillations and optical conductivity in Rashba spin-splitting BiTeI
journal, January 2013
- Martin, C.; Mun, E. D.; Berger, H.
- Physical Review B, Vol. 87, Issue 4
Impurity Scattering in Semiconductors
journal, January 1956
- Mansfield, R.
- Proceedings of the Physical Society. Section B, Vol. 69, Issue 1
Electron Mobility in Semiconducting Strontium Titanate
journal, March 1967
- Tufte, O. N.; Chapman, P. W.
- Physical Review, Vol. 155, Issue 3
Propriétés optiques du semiconducteur BiTeI
journal, January 1970
- Horak, J.
- Journal de Physique, Vol. 31, Issue 1
Origin of giant bulk Rashba splitting: Application to BiTeI
journal, July 2011
- Bahramy, M. S.; Arita, R.; Nagaosa, N.
- Physical Review B, Vol. 84, Issue 4
Thermoelectric Property Studies on Cu-Doped n-type CuxBi2Te2.7Se0.3 Nanocomposites
journal, June 2011
- Liu, Wei-Shu; Zhang, Qinyong; Lan, Yucheng
- Advanced Energy Materials, Vol. 1, Issue 4, p. 577-587
Metal nanoparticle decorated n-type Bi 2 Te 3 -based materials with enhanced thermoelectric performances
journal, June 2013
- Wang, Shanyu; Li, Han; Lu, Ruiming
- Nanotechnology, Vol. 24, Issue 28
Higher mobility in bulk semiconductors by separating the dopants from the charge-conducting band – a case study of thermoelectric PbSe
journal, January 2015
- Wang, Heng; Cao, Xianlong; Takagiwa, Yoshiki
- Materials Horizons, Vol. 2, Issue 3
Cu−Se Bond Network and Thermoelectric Compounds with Complex Diamondlike Structure
journal, November 2010
- Shi, Xiaoya; Xi, Lili; Fan, Jing
- Chemistry of Materials, Vol. 22, Issue 22
Topological Change of the Fermi Surface in Low-Density Rashba Gases: Application to Superconductivity
journal, April 2007
- Cappelluti, E.; Grimaldi, C.; Marsiglio, F.
- Physical Review Letters, Vol. 98, Issue 16
Toroidal Energy Surfaces in Crystals with Wurtzite Symmetry
journal, October 1960
- Casella, R. C.
- Physical Review Letters, Vol. 5, Issue 8
Effect of quantum-well structures on the thermoelectric figure of merit
journal, May 1993
- Hicks, L. D.; Dresselhaus, M. S.
- Physical Review B, Vol. 47, Issue 19, p. 12727-12731
Giant Rashba-type spin splitting in bulk BiTeI
journal, June 2011
- Ishizaka, K.; Bahramy, M. S.; Murakawa, H.
- Nature Materials, Vol. 10, Issue 7
Lattice dynamics of bismuth tellurohalides
journal, September 2012
- Sklyadneva, I. Yu.; Heid, R.; Bohnen, K. -P.
- Physical Review B, Vol. 86, Issue 9
Theoretical prediction of the fundamental properties of ternary bismuth tellurohalides
journal, November 2014
- Zhou, Shiyi; Long, Jianping; Huang, Wen
- Materials Science in Semiconductor Processing, Vol. 27
First-principles description of anomalously low lattice thermal conductivity in thermoelectric Cu-Sb-Se ternary semiconductors
journal, February 2012
- Zhang, Yongsheng; Skoug, Eric; Cain, Jeffrey
- Physical Review B, Vol. 85, Issue 5
Conductivity-limiting bipolar thermal conductivity in semiconductors
journal, May 2015
- Wang, Shanyu; Yang, Jiong; Toll, Trevor
- Scientific Reports, Vol. 5, Issue 1
Transport Properties of Bulk Thermoelectrics—An International Round-Robin Study, Part I: Seebeck Coefficient and Electrical Resistivity
journal, January 2013
- Wang, Hsin; Porter, Wallace D.; Böttner, Harald
- Journal of Electronic Materials, Vol. 42, Issue 4
Transport Properties of Bulk Thermoelectrics: An International Round-Robin Study, Part II: Thermal Diffusivity, Specific Heat, and Thermal Conductivity
journal, March 2013
- Wang, Hsin; Porter, Wallace D.; Böttner, Harald
- Journal of Electronic Materials, Vol. 42, Issue 6
Cubic AgPbmSbTe2+m: Bulk Thermoelectric Materials with High Figure of Merit
journal, February 2004
- Hsu, Kuei Fang; Loo, Sim; Guo, Fu
- Science, Vol. 303, Issue 5659, p. 818-821
Heavily Doped p-Type PbSe with High Thermoelectric Performance: An Alternative for PbTe
journal, February 2011
- Wang, Heng; Pei, Yanzhong; LaLonde, Aaron D.
- Advanced Materials, Vol. 23, Issue 11, p. 1366-1370
Electrical conductivity of BiTeI crystals
journal, February 1981
- Horák, J.; Tichý, L.; Lošťák, P.
- Physica Status Solidi (a), Vol. 63, Issue 2
High-Density Chemical Intercalation of Zero-Valent Copper into Bi 2 Se 3 Nanoribbons
journal, April 2012
- Koski, Kristie J.; Cha, Judy J.; Reed, Bryan W.
- Journal of the American Chemical Society, Vol. 134, Issue 18
Convergence of electronic bands for high performance bulk thermoelectrics
journal, May 2011
- Pei, Yanzhong; Shi, Xiaoya; LaLonde, Aaron
- Nature, Vol. 473, Issue 7345, p. 66-69
Giant Rashba-type spin splitting in bulk BiTeI
journal, June 2011
- Ishizaka, K.; Bahramy, M. S.; Murakawa, H.
- Nature Materials, Vol. 10, Issue 7
Extremely high electron mobility in a phonon-glass semimetal
journal, April 2013
- Ishiwata, S.; Shiomi, Y.; Lee, J. S.
- Nature Materials, Vol. 12, Issue 6
Past achievements and future challenges in the development of optically transparent electrodes
journal, November 2012
- Ellmer, Klaus
- Nature Photonics, Vol. 6, Issue 12
Propriétés optiques du semiconducteur BiTeI
journal, January 1970
- Horak, J.
- Journal de Physique, Vol. 31, Issue 1
Influence of negatively and positively charged scattering centers on electron mobility in semiconductor inversion layers: A Monte Carlo study
journal, August 1995
- Gámiz, F.; López‐Villanueva, J. A.
- Journal of Applied Physics, Vol. 78, Issue 3
The Hall effect in polycrystalline and powdered semiconductors
journal, November 1980
- Orton, J. W.; Powell, M. J.
- Reports on Progress in Physics, Vol. 43, Issue 11
Impurity Scattering in Semiconductors
journal, January 1956
- Mansfield, R.
- Proceedings of the Physical Society. Section B, Vol. 69, Issue 1
Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems
journal, September 2008
- Bell, L. E.
- Science, Vol. 321, Issue 5895, p. 1457-1461
Thermoelectric properties of BiTeI with addition of BiI3, CuI, and overstoichiometric Bi
journal, July 2011
- Kulbachinskii, V. A.; Kytin, V. G.; Lavrukhina, Z. V.
- Semiconductors, Vol. 45, Issue 7
Topological Change of the Fermi Surface in Low Density Rashba Gases: Application to Superconductivity
text, January 2006
- Cappelluti, E.; Grimaldi, C.; Marsiglio, F.
- arXiv
Works referencing / citing this record:
Synthesis and thermoelectric properties of Rashba semiconductor BiTeBr with intensive texture
journal, April 2018
- Xin, Jia-Zhan; Fu, Chen-Guang; Shi, Wu-Jun
- Rare Metals, Vol. 37, Issue 4
Heavy pnictogen chalcohalides: the synthesis, structure and properties of these rediscovered semiconductors
journal, January 2018
- Wlaźlak, Ewelina; Blachecki, Andrzej; Bisztyga-Szklarz, Magdalena
- Chemical Communications, Vol. 54, Issue 86
Uniaxial strain induced topological phase transition in bismuth–tellurohalide–graphene heterostructures
journal, January 2019
- Tajkov, Zoltán; Visontai, Dávid; Oroszlány, László
- Nanoscale, Vol. 11, Issue 26
Transport properties of topologically non-trivial bismuth tellurobromides BinTeBr
journal, September 2019
- Pabst, Falk; Hobbis, Dean; Alzahrani, Noha
- Journal of Applied Physics, Vol. 126, Issue 10
Recent advances in high-performance bulk thermoelectric materials
journal, May 2016
- Shi, X.; Chen, L.; Uher, C.
- International Materials Reviews, Vol. 61, Issue 6
Potential 2D thermoelectric material A TeI ( A = Sb and Bi) monolayers from a first-principles study
journal, October 2017
- Guo, San-Dong; Zhang, Ai-Xia; Li, Hui-Chao
- Nanotechnology, Vol. 28, Issue 44
Topological Phase Diagram of BiTeX–Graphene Hybrid Structures
journal, October 2019
- Tajkov, Zoltán; Visontai, Dávid; Oroszlány, László
- Applied Sciences, Vol. 9, Issue 20
Potential 2D thermoelectric materials ATeI (A=Sb and Bi) monolayers from a first-principles study
text, January 2017
- Guo, San-Dong; Zhang, Ai-Xia
- arXiv
Uniaxial Strain Induced Topological Phase Transition in Bismuth-Tellurohalide-Graphene Heterostructures
text, January 2019
- Tajkov, Zoltán; Visontai, Dávid; Oroszlány, László
- arXiv