Enhanced Thermoelectric Performance through Tuning Bonding Energy in Cu2Se1-xSx Liquid-like Materials

Kunpeng Zhao; Anders Bank Blichfeld; Hongyi Chen; Qingfeng Song; Tiansong Zhang; Chenxi Zhu; Dudi Ren; Riley Hanus; Pengfei Qiu; Bo B. Iversen; Fangfang Xu; G. Jeffrey Snyder; Xun Shi; Lidong Chen

doi:10.1021/acs.chemmater.7b01687

Enhanced Thermoelectric Performance through Tuning Bonding Energy in Cu₂Se_1-xS_x Liquid-like Materials

Kunpeng Zhao, Anders Bank Blichfeld, Hongyi Chen, Qingfeng Song, Tiansong Zhang, Chenxi Zhu, Dudi Ren, Riley Hanus, Pengfei Qiu^*, Bo B. Iversen, Fangfang Xu, G. Jeffrey Snyder, Xun Shi, Lidong Chen

^*Corresponding author for this work

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

207 Citations (Scopus)

Abstract

Thermoelectric materials require an optimal carrier concentration to maximize electrical transport and thus thermoelectric performance. Element doping and composition off-stoichiometry are the two general and effective approaches for optimizing carrier concentrations, which have been successfully applied in almost all semiconductors. In this study, we propose a new strategy called bonding energy variation to tune the carrier concentrations in Cu₂Se-based liquid-like thermoelectric compounds. By utilizing the different bond features in Cu₂Se and Cu₂S, alloying S at the Se sites successfully increases the bonding energy to fix Cu atoms in the crystal lattice to suppress the formation of Cu vacancies, leading to greatly reduced carrier concentrations toward the optimal value. Via a combination of the lowered electrical and lattice thermal conductivities and the relatively good carrier mobility caused by the weak alloy scattering potential, ultrahigh zT values are achieved in slightly S-doped Cu₂Se with a maximal value of 2.0 at 1000 K, 30% higher than that in nominally stoichiometric Cu₂Se.

Original language	English
Journal	Chemistry of Materials
Volume	29
Issue	15
Pages (from-to)	6367-6377
Number of pages	11
ISSN	0897-4756
DOIs	https://doi.org/10.1021/acs.chemmater.7b01687
Publication status	Published - 2017

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10.1021/acs.chemmater.7b01687

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title = "Enhanced Thermoelectric Performance through Tuning Bonding Energy in Cu2Se1-xSx Liquid-like Materials",

abstract = "Thermoelectric materials require an optimal carrier concentration to maximize electrical transport and thus thermoelectric performance. Element doping and composition off-stoichiometry are the two general and effective approaches for optimizing carrier concentrations, which have been successfully applied in almost all semiconductors. In this study, we propose a new strategy called bonding energy variation to tune the carrier concentrations in Cu2Se-based liquid-like thermoelectric compounds. By utilizing the different bond features in Cu2Se and Cu2S, alloying S at the Se sites successfully increases the bonding energy to fix Cu atoms in the crystal lattice to suppress the formation of Cu vacancies, leading to greatly reduced carrier concentrations toward the optimal value. Via a combination of the lowered electrical and lattice thermal conductivities and the relatively good carrier mobility caused by the weak alloy scattering potential, ultrahigh zT values are achieved in slightly S-doped Cu2Se with a maximal value of 2.0 at 1000 K, 30% higher than that in nominally stoichiometric Cu2Se.",

author = "Kunpeng Zhao and Blichfeld, {Anders Bank} and Hongyi Chen and Qingfeng Song and Tiansong Zhang and Chenxi Zhu and Dudi Ren and Riley Hanus and Pengfei Qiu and Iversen, {Bo B.} and Fangfang Xu and Snyder, {G. Jeffrey} and Xun Shi and Lidong Chen",

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doi = "10.1021/acs.chemmater.7b01687",

language = "English",

volume = "29",

pages = "6367--6377",

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issn = "0897-4756",

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Enhanced Thermoelectric Performance through Tuning Bonding Energy in Cu₂Se_1-xS_x Liquid-like Materials. / Zhao, Kunpeng; Blichfeld, Anders Bank; Chen, Hongyi et al.
In: Chemistry of Materials, Vol. 29, No. 15, 2017, p. 6367-6377.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

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T1 - Enhanced Thermoelectric Performance through Tuning Bonding Energy in Cu2Se1-xSx Liquid-like Materials

AU - Zhao, Kunpeng

AU - Blichfeld, Anders Bank

AU - Chen, Hongyi

AU - Song, Qingfeng

AU - Zhang, Tiansong

AU - Zhu, Chenxi

AU - Ren, Dudi

AU - Hanus, Riley

AU - Qiu, Pengfei

AU - Iversen, Bo B.

AU - Xu, Fangfang

AU - Snyder, G. Jeffrey

AU - Shi, Xun

AU - Chen, Lidong

PY - 2017

Y1 - 2017

N2 - Thermoelectric materials require an optimal carrier concentration to maximize electrical transport and thus thermoelectric performance. Element doping and composition off-stoichiometry are the two general and effective approaches for optimizing carrier concentrations, which have been successfully applied in almost all semiconductors. In this study, we propose a new strategy called bonding energy variation to tune the carrier concentrations in Cu2Se-based liquid-like thermoelectric compounds. By utilizing the different bond features in Cu2Se and Cu2S, alloying S at the Se sites successfully increases the bonding energy to fix Cu atoms in the crystal lattice to suppress the formation of Cu vacancies, leading to greatly reduced carrier concentrations toward the optimal value. Via a combination of the lowered electrical and lattice thermal conductivities and the relatively good carrier mobility caused by the weak alloy scattering potential, ultrahigh zT values are achieved in slightly S-doped Cu2Se with a maximal value of 2.0 at 1000 K, 30% higher than that in nominally stoichiometric Cu2Se.

AB - Thermoelectric materials require an optimal carrier concentration to maximize electrical transport and thus thermoelectric performance. Element doping and composition off-stoichiometry are the two general and effective approaches for optimizing carrier concentrations, which have been successfully applied in almost all semiconductors. In this study, we propose a new strategy called bonding energy variation to tune the carrier concentrations in Cu2Se-based liquid-like thermoelectric compounds. By utilizing the different bond features in Cu2Se and Cu2S, alloying S at the Se sites successfully increases the bonding energy to fix Cu atoms in the crystal lattice to suppress the formation of Cu vacancies, leading to greatly reduced carrier concentrations toward the optimal value. Via a combination of the lowered electrical and lattice thermal conductivities and the relatively good carrier mobility caused by the weak alloy scattering potential, ultrahigh zT values are achieved in slightly S-doped Cu2Se with a maximal value of 2.0 at 1000 K, 30% higher than that in nominally stoichiometric Cu2Se.

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JO - Chemistry of Materials

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ER -

Enhanced Thermoelectric Performance through Tuning Bonding Energy in Cu₂Se_1-xS_x Liquid-like Materials

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