Non-linear enhancement of thermoelectric performance of a TiSe2 monolayer due to tensile strain, from first-principles calculations-Reference-Cited by-同舟云学术

Non-linear enhancement of thermoelectric performance of a TiSe2 monolayer due to tensile strain, from first-principles calculations

Published:2019 Issue:24 Volume:7 Page:7308-7317
ISSN:2050-7526
Container-title:Journal of Materials Chemistry C
language:en
Short-container-title:J. Mater. Chem. C

Author:

Nayeb Sadeghi Safoura¹²³⁴⁵,Zebarjadi Mona⁶²³⁷²,Esfarjani Keivan¹²³⁷²^ORCID

Affiliation:

1. Department of Mechanical Engineering, University of Virginia

2. Charlottesville

3. USA

4. Department of Physics, Tehran University

5. Tehran

6. Department of Electrical and Computer Engineering, University of Virginia

7. Department of Materials Science and Engineering, University of Virginia

Abstract

Using first-principles density functional theory (DFT) calculations combined with the Boltzmann transport theory, we investigate the effect of strain on the electronic and thermoelectric transport properties of the 1T-TiSe₂ monolayer, a two-dimensional (2D) material, and compare it with the bulk phase within the PBE, LDA+U and HSE exchange–correlation functionals.

Funder

University of Virginia

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/TC/C9TC00183B

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