First-principles exploration of oxygen vacancy impact on electronic and optical properties of ABO3−δ (A = La, Sr; B = Cr, Mn) perovskites-Reference-Cited by-同舟云学术

First-principles exploration of oxygen vacancy impact on electronic and optical properties of ABO3−δ (A = La, Sr; B = Cr, Mn) perovskites

Published:2020 Issue:46 Volume:22 Page:27163-27172
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Park Jongwoo¹²³⁴^ORCID,Wu Yu-Ning¹²³⁴,Saidi Wissam A.¹²³⁴⁵^ORCID,Chorpening Benjamin¹²³⁴,Duan Yuhua¹²³⁴^ORCID

Affiliation:

1. National Energy Technology Laboratory

2. United States Department of Energy

3. Pittsburgh

4. USA

5. Department of Mechanical Engineering and Materials Science

Abstract

We explore via first-principles the impact of oxygen vacancies on the electronic structure and optical responses of ABO_3−δ (A = La, Sr; B = Cr, Mn) perovskites, which provides a reference for optical gas sensing applications.

Funder

National Energy Technology Laboratory

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP05445C

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