Achieving High Thermoelectric Performance by NaSbTe2 Alloying in GeTe for Simultaneous Suppression of Ge Vacancies and Band Tailoring

Sichen Duan; Wenhua Xue; Honghao Yao; Xinyu Wang; Chen Wang; Shan Li; Zongwei Zhang; Li Yin; Xin Bao; Lihong Huang; Xiaodong Wang; Chen Chen; Jiehe Sui; Yue Chen; Jun Mao; Feng Cao; Yumei Wang; Qian Zhang

doi:10.1002/aenm.202103385

Achieving High Thermoelectric Performance by NaSbTe₂ Alloying in GeTe for Simultaneous Suppression of Ge Vacancies and Band Tailoring

Sichen Duan, Wenhua Xue, Honghao Yao, Xinyu Wang, Chen Wang, Shan Li, Zongwei Zhang, Li Yin, Xin Bao, Lihong Huang, Xiaodong Wang, Chen Chen, Jiehe Sui, Yue Chen, Jun Mao, Feng Cao, Yumei Wang, Qian Zhang

Research output: Contribution to journal › Article › peer-review

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Abstract

GeTe alloys have attracted wide attention due to their high conversion efficiency. However, pristine GeTe possesses intrinsically massive Ge vacancies, leading to a very high hole concentration (10²¹ cm⁻³). Herein, a decreased carrier concentration is realized by alloying NaSbTe₂ in GeTe due to the increased formation energy of Ge vacancies. This alloying also lowers energy separation between the valence bands in the rhombohedral GeTe and induces two extra valence band pockets around the Fermi surface along Γ-L and L-W in the cubic GeTe, all of which contributes to the higher power factors over a wide temperature range. Combined with the low lattice thermal conductivities due to plenty of dislocations and strains as a result of the crystallographic disorder of Na, Ge, and Sb, a maximum zT ≈ 2.35 at 773 K and a zT_ave of 1.33 from 300 to 773 K are achieved in (GeTe)₉₀(NaSbTe₂)₁₀.

Original language	English
Article number	2103385
Journal	Advanced Energy Materials
Volume	12
Issue number	3
DOIs	https://doi.org/10.1002/aenm.202103385
State	Published - 20 Jan 2022
Externally published	Yes

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Duan, S., Xue, W., Yao, H., Wang, X., Wang, C., Li, S., Zhang, Z., Yin, L., Bao, X., Huang, L., Wang, X., Chen, C., Sui, J., Chen, Y., Mao, J., Cao, F., Wang, Y., & Zhang, Q. (2022). Achieving High Thermoelectric Performance by NaSbTe₂ Alloying in GeTe for Simultaneous Suppression of Ge Vacancies and Band Tailoring. Advanced Energy Materials, 12(3), Article 2103385. https://doi.org/10.1002/aenm.202103385

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title = "Achieving High Thermoelectric Performance by NaSbTe2 Alloying in GeTe for Simultaneous Suppression of Ge Vacancies and Band Tailoring",

abstract = "GeTe alloys have attracted wide attention due to their high conversion efficiency. However, pristine GeTe possesses intrinsically massive Ge vacancies, leading to a very high hole concentration (1021 cm−3). Herein, a decreased carrier concentration is realized by alloying NaSbTe2 in GeTe due to the increased formation energy of Ge vacancies. This alloying also lowers energy separation between the valence bands in the rhombohedral GeTe and induces two extra valence band pockets around the Fermi surface along Γ-L and L-W in the cubic GeTe, all of which contributes to the higher power factors over a wide temperature range. Combined with the low lattice thermal conductivities due to plenty of dislocations and strains as a result of the crystallographic disorder of Na, Ge, and Sb, a maximum zT ≈ 2.35 at 773 K and a zTave of 1.33 from 300 to 773 K are achieved in (GeTe)90(NaSbTe2)10.",

author = "Sichen Duan and Wenhua Xue and Honghao Yao and Xinyu Wang and Chen Wang and Shan Li and Zongwei Zhang and Li Yin and Xin Bao and Lihong Huang and Xiaodong Wang and Chen Chen and Jiehe Sui and Yue Chen and Jun Mao and Feng Cao and Yumei Wang and Qian Zhang",

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doi = "10.1002/aenm.202103385",

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Duan, S, Xue, W, Yao, H, Wang, X, Wang, C, Li, S, Zhang, Z, Yin, L, Bao, X, Huang, L, Wang, X, Chen, C, Sui, J, Chen, Y, Mao, J, Cao, F, Wang, Y & Zhang, Q 2022, 'Achieving High Thermoelectric Performance by NaSbTe₂ Alloying in GeTe for Simultaneous Suppression of Ge Vacancies and Band Tailoring', Advanced Energy Materials, vol. 12, no. 3, 2103385. https://doi.org/10.1002/aenm.202103385

TY - JOUR

T1 - Achieving High Thermoelectric Performance by NaSbTe2 Alloying in GeTe for Simultaneous Suppression of Ge Vacancies and Band Tailoring

AU - Duan, Sichen

AU - Xue, Wenhua

AU - Yao, Honghao

AU - Wang, Xinyu

AU - Wang, Chen

AU - Li, Shan

AU - Zhang, Zongwei

AU - Yin, Li

AU - Bao, Xin

AU - Huang, Lihong

AU - Wang, Xiaodong

AU - Chen, Chen

AU - Sui, Jiehe

AU - Chen, Yue

AU - Mao, Jun

AU - Cao, Feng

AU - Wang, Yumei

AU - Zhang, Qian

PY - 2022/1/20

Y1 - 2022/1/20

N2 - GeTe alloys have attracted wide attention due to their high conversion efficiency. However, pristine GeTe possesses intrinsically massive Ge vacancies, leading to a very high hole concentration (1021 cm−3). Herein, a decreased carrier concentration is realized by alloying NaSbTe2 in GeTe due to the increased formation energy of Ge vacancies. This alloying also lowers energy separation between the valence bands in the rhombohedral GeTe and induces two extra valence band pockets around the Fermi surface along Γ-L and L-W in the cubic GeTe, all of which contributes to the higher power factors over a wide temperature range. Combined with the low lattice thermal conductivities due to plenty of dislocations and strains as a result of the crystallographic disorder of Na, Ge, and Sb, a maximum zT ≈ 2.35 at 773 K and a zTave of 1.33 from 300 to 773 K are achieved in (GeTe)90(NaSbTe2)10.

AB - GeTe alloys have attracted wide attention due to their high conversion efficiency. However, pristine GeTe possesses intrinsically massive Ge vacancies, leading to a very high hole concentration (1021 cm−3). Herein, a decreased carrier concentration is realized by alloying NaSbTe2 in GeTe due to the increased formation energy of Ge vacancies. This alloying also lowers energy separation between the valence bands in the rhombohedral GeTe and induces two extra valence band pockets around the Fermi surface along Γ-L and L-W in the cubic GeTe, all of which contributes to the higher power factors over a wide temperature range. Combined with the low lattice thermal conductivities due to plenty of dislocations and strains as a result of the crystallographic disorder of Na, Ge, and Sb, a maximum zT ≈ 2.35 at 773 K and a zTave of 1.33 from 300 to 773 K are achieved in (GeTe)90(NaSbTe2)10.

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U2 - 10.1002/aenm.202103385

DO - 10.1002/aenm.202103385

M3 - 文章

AN - SCOPUS:85121342057

SN - 1614-6832

VL - 12

JO - Advanced Energy Materials

JF - Advanced Energy Materials

IS - 3

M1 - 2103385

ER -

Achieving High Thermoelectric Performance by NaSbTe₂ Alloying in GeTe for Simultaneous Suppression of Ge Vacancies and Band Tailoring

Abstract

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