Hydrogenation and oxidation enhances the thermoelectric performance of Si2BN monolayer-Reference-Cited by-同舟云学术

Hydrogenation and oxidation enhances the thermoelectric performance of Si2BN monolayer

Published:2021 Issue:8 Volume:45 Page:3892-3900
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Mahida H. R.¹²³⁴,Singh Deobrat⁵⁶⁷⁸⁹^ORCID,Sonvane Yogesh¹⁰¹¹¹³⁴^ORCID,Gupta Sanjeev K.¹²¹³¹⁴¹⁵⁴^ORCID,Thakor P. B.¹²³⁴,Ahuja Rajeev⁵⁶⁷⁸⁹^ORCID

Affiliation:

1. Department of Physics

2. Veer Narmad South Gujarat University

3. Surat 395007

4. India

5. Condensed Matter Theory Group

6. Materials Theory Division

7. Department of Physics and Astronomy

8. Uppsala University

9. Uppsala

10. Advanced Material Lab

11. Sardar Vallabhbhai National Institute of Technology

12. Computational Materials and Nanoscience Group

13. Department of Physics and Electronics

14. St. Xavier's College

15. Ahmedabad 380009

Abstract

In the present study, we have investigated the structural, electronic, and charge transport properties of pristine, hydrogenated, and oxidized Si₂BN monolayers via first-principles calculations based on density functional theory (DFT).

Funder

Carl Tryggers Stiftelse för Vetenskaplig Forskning

Vetenskapsrådet

Science and Engineering Research Board

Russian Foundation for Basic Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D0NJ06000C

Reference43 articles.

1. An analytic study of the Wiedemann–Franz law and the thermoelectric figure of merit

2. Complex thermoelectric materials

3. Compromise and Synergy in High‐Efficiency Thermoelectric Materials

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