Computational prediction of high thermoelectric performance in As<sub>2</sub>Se<sub>3</sub> by engineering out-of-equilibrium defects-Reference-Cited by-同舟云学术

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Computational prediction of high thermoelectric performance in As₂Se₃ by engineering out-of-equilibrium defects

Published:2024 Issue:5 Volume:26 Page:4144-4150
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Chaves Anderson Silva¹^ORCID,Silva Murilo Aguiar²,Antonelli Alex³^ORCID

Affiliation:

1. John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138, USA

2. Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas, UNICAMP, 13083-859 Campinas, São Paulo, Brazil

3. Instituto de Física Gleb Wataghin and Centre for Computational Engineering & Sciences, Universidade Estadual de Campinas, UNICAMP, 13083-859 Campinas, São Paulo, Brazil

Abstract

Defect engineering can result in larger charge carrier relaxation times and high figures of merit zT in As2Se3.

Funder

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Amparo à Pesquisa do Estado de São Paulo

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP03629D

Reference33 articles.

1. Thermoelectrics: From history, a window to the future

2. Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals

3. Screening Promising Thermoelectric Materials in Binary Chalcogenides through High-Throughput Computations

4. Ultralow and anisotropic thermal conductivity in semiconductor As2Se3

5. Lone pair electrons minimize lattice thermal conductivity

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