Incommensurately Modulated Structure in AgCuSe-Based Thermoelectric Materials for Intriguing Electrical, Thermal, and Mechanical Properties
© 2023 Wiley-VCH GmbH..
AgCuSe-based materials have attracted great attentions recently in thermoelectric (TE) field due to their extremely high electron mobility, ultralow lattice thermal conductivity, and abnormal "brittle-ductile" transition at room temperature. However, although the investigation on the crystal structure of AgCuSe low-temperature phase (named as β-AgCuSe) was started more than half a century before, it is still in controversy yet, which greatly limits the understanding of its intriguing electrical, thermal, and mechanical performance. In this work, via adopting the advanced three-dimensional electron diffraction technique, this study finds that the AgCuSe-based materials crystalize in an incommensurately modulated structure with an orthorhombic Pmmn(0β1/2)s00 superspace group. The local lattice distortion in the incommensurately modulated structure has weak effects on the conduction band minimum due to the delocalized and isotropic feature of Ag 5s states, leading to high carrier mobility. Likewise, the inhomogeneous, weak, and anisotropic Ag-Se bonds result in the high degree of anharmonicity and ultralow lattice thermal conductivity. Furthermore, alloying S in AgCuSe reinforces the interaction between the adjacent Ag-Se layers, yielding the "brittle-ductile" transition at room temperature. This work well interprets the structure-performance relationship of AgCuSe-based materials and sheds light on the future investigation of this class of promising TE materials.
| Medienart: |
E-Artikel |
|---|
| Erscheinungsjahr: |
2023 |
|---|---|
| Erschienen: |
2023 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:19 |
|---|---|
| Enthalten in: |
Small (Weinheim an der Bergstrasse, Germany) - 19(2023), 22 vom: 27. Juni, Seite e2300699 |
| Sprache: |
Englisch |
|---|
| Beteiligte Personen: |
Yang, Qingyu [VerfasserIn] |
|---|
| Links: |
|---|
| Themen: |
AgCuSe |
|---|
| Anmerkungen: |
Date Completed 01.06.2023 Date Revised 01.06.2023 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
|---|
| doi: |
10.1002/smll.202300699 |
|---|
| funding: |
|
|---|---|
| Förderinstitution / Projekttitel: |
|
| PPN (Katalog-ID): |
NLM353494321 |
|---|
| LEADER | 01000naa a22002652 4500 | ||
|---|---|---|---|
| 001 | NLM353494321 | ||
| 003 | DE-627 | ||
| 005 | 20231226060129.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 231226s2023 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1002/smll.202300699 |2 doi | |
| 028 | 5 | 2 | |a pubmed24n1178.xml |
| 035 | |a (DE-627)NLM353494321 | ||
| 035 | |a (NLM)36843312 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 100 | 1 | |a Yang, Qingyu |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Incommensurately Modulated Structure in AgCuSe-Based Thermoelectric Materials for Intriguing Electrical, Thermal, and Mechanical Properties |
| 264 | 1 | |c 2023 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a ƒaComputermedien |b c |2 rdamedia | ||
| 338 | |a ƒa Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Date Completed 01.06.2023 | ||
| 500 | |a Date Revised 01.06.2023 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a © 2023 Wiley-VCH GmbH. | ||
| 520 | |a AgCuSe-based materials have attracted great attentions recently in thermoelectric (TE) field due to their extremely high electron mobility, ultralow lattice thermal conductivity, and abnormal "brittle-ductile" transition at room temperature. However, although the investigation on the crystal structure of AgCuSe low-temperature phase (named as β-AgCuSe) was started more than half a century before, it is still in controversy yet, which greatly limits the understanding of its intriguing electrical, thermal, and mechanical performance. In this work, via adopting the advanced three-dimensional electron diffraction technique, this study finds that the AgCuSe-based materials crystalize in an incommensurately modulated structure with an orthorhombic Pmmn(0β1/2)s00 superspace group. The local lattice distortion in the incommensurately modulated structure has weak effects on the conduction band minimum due to the delocalized and isotropic feature of Ag 5s states, leading to high carrier mobility. Likewise, the inhomogeneous, weak, and anisotropic Ag-Se bonds result in the high degree of anharmonicity and ultralow lattice thermal conductivity. Furthermore, alloying S in AgCuSe reinforces the interaction between the adjacent Ag-Se layers, yielding the "brittle-ductile" transition at room temperature. This work well interprets the structure-performance relationship of AgCuSe-based materials and sheds light on the future investigation of this class of promising TE materials | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a AgCuSe | |
| 650 | 4 | |a ductility | |
| 650 | 4 | |a incommensurately modulated structures | |
| 650 | 4 | |a thermoelectrics | |
| 650 | 4 | |a ultralow lattice thermal conductivity | |
| 700 | 1 | |a Ming, Chen |e verfasserin |4 aut | |
| 700 | 1 | |a Qiu, Pengfei |e verfasserin |4 aut | |
| 700 | 1 | |a Zhou, Zhengyang |e verfasserin |4 aut | |
| 700 | 1 | |a Qiu, Xianxiu |e verfasserin |4 aut | |
| 700 | 1 | |a Gao, Zhiqiang |e verfasserin |4 aut | |
| 700 | 1 | |a Deng, Tingting |e verfasserin |4 aut | |
| 700 | 1 | |a Chen, Lidong |e verfasserin |4 aut | |
| 700 | 1 | |a Shi, Xun |e verfasserin |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Small (Weinheim an der Bergstrasse, Germany) |d 2005 |g 19(2023), 22 vom: 27. Juni, Seite e2300699 |w (DE-627)NLM167400452 |x 1613-6829 |7 nnns |
| 773 | 1 | 8 | |g volume:19 |g year:2023 |g number:22 |g day:27 |g month:06 |g pages:e2300699 |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1002/smll.202300699 |3 Volltext |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a GBV_NLM | ||
| 951 | |a AR | ||
| 952 | |d 19 |j 2023 |e 22 |b 27 |c 06 |h e2300699 | ||