Ab initio investigation of O2 adsorption on Ca-doped LaMnO3 cathodes in solid oxide fuel cells-Reference-Cited by-同舟云学术

Ab initio investigation of O2 adsorption on Ca-doped LaMnO3 cathodes in solid oxide fuel cells

Published:2018 Issue:45 Volume:20 Page:28685-28698
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Aniagyei Albert¹²³⁴^ORCID,Dzade Nelson Y.⁵⁶⁷⁸⁹^ORCID,Tia Richard¹²³⁴^ORCID,Adei Evans¹²³⁴,Catlow C. R. A.¹⁰¹¹¹²¹³¹⁴,de Leeuw Nora H.⁵⁶⁷⁸⁹^ORCID

Affiliation:

1. Department of Chemistry

2. Kwame Nkrumah University of Science and Technology

3. Kumasi

4. Ghana

5. Department of Earth Sciences

6. Utrecht University

7. Princetonplein 8A

8. 3584 CB Utrecht

9. The Netherlands

10. School of Chemistry

11. Cardiff University

12. Main Building

13. Park Place

14. Cardiff

Abstract

We present a Hubbard-corrected density functional theory (DFT+U) study of the adsorption and reduction reactions of oxygen on the pure and 25% Ca-doped LaMnO₃ (LCM25) {100} and {110} surfaces.

Funder

Leverhulme Trust

National Council for Tertiary Education

Royal Society

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP02137F

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5. Electrocatalyst approaches and challenges for automotive fuel cells

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