Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study-Reference-Cited by-同舟云学术

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Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study

Published:2021 Issue:16 Volume:23 Page:9773-9784
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ngoc Nam Ho¹²³⁴⁵^ORCID,Yamada Ryo⁶⁷⁸⁹⁵,Okumura Haruki¹⁰²³⁴⁵^ORCID,Nguyen Tien Quang¹⁰²³⁴⁵^ORCID,Suzuki Katsuhiro¹⁰²³⁴⁵,Shinya Hikari¹¹¹²¹³⁵¹⁴,Masago Akira¹⁴¹⁵³¹⁶⁵,Fukushima Tetsuya¹⁴¹⁵³¹⁶⁵,Sato Kazunori¹⁰²³⁴⁵

Affiliation:

1. Department of Precision Science and Technology

2. Graduate School of Engineering

3. Osaka University

4. Suita

5. Japan

6. Division of Materials Science and Engineering

7. Faculty of Engineering

8. Hokkaido University

9. Sapporo

10. Division of Materials and Manufacturing Science

11. Research Institute of Electrical Communication

12. Tohoku University

13. Sendai 980-8577

14. Center for Spintronics Research Network

15. Graduate School of Engineering Science

16. Toyonaka

Abstract

The significant power factor enhancement of an α-Ag₂S system by up to 40% by doping Cu or Au is predicted by using the SCAN + rVV10 functional.

Funder

Japan Science and Technology Corporation

Ministry of Education, Culture, Sports, Science and Technology

Japan International Cooperation Agency

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP06624A

Reference63 articles.

1. Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems

2. Thermoelectric Cooling and Power Generation

3. Complex thermoelectric materials

4. Au and B co-doped p-type Si-Ge nanocomposites possessing ZT = 1.63 synthesized by ball milling and low-temperature sintering

5. Large figure of merit ZT = 1.88 at 873 K achieved with nanostructured Si0.55Ge0.35(P0.10Fe0.01)

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