Factors determining surface oxygen vacancy formation energy in ternary spinel structure oxides with zinc-Reference-Cited by-同舟云学术

Factors determining surface oxygen vacancy formation energy in ternary spinel structure oxides with zinc

Published:2021 Issue:41 Volume:23 Page:23768-23777
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Hinuma Yoyo¹²^ORCID,Mine Shinya³^ORCID,Toyao Takashi³⁴^ORCID,Kamachi Takashi⁴⁵^ORCID,Shimizu Ken-ichi³⁴^ORCID

Affiliation:

1. Department of Energy and Environment, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31, Midorigaoka, Ikeda 563-8577, Japan

2. Center for Frontier Science, Chiba University, 1-33 Yayoicho, Inage, Chiba 263-8522, Japan

3. Institute for Catalysis, Hokkaido University, N-21, W-10, Kita, Sapporo, Hokkaido 001-0021, Japan

4. Elements Strategy Initiative for Catalysts and Batteries, Kyoto University, Katsura, Nishigyo, Kyoto 615-8520, Japan

5. Department of Life, Environment and Applied Chemistry, Fukuoka Institute of Technology, 3-30-1Wajiro-Higashi, Higashi-ku, Fukuoka 811-0295, Japan

Abstract

Surface oxygen vacancy formation energy in ternary spinel-structure oxides with zinc correlates well with the bulk formation energy.

Funder

Japan Society for the Promotion of Science

Core Research for Evolutional Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP03657B

Reference69 articles.

1. Oxygen Vacancy: The Invisible Agent on Oxide Surfaces

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3. Point defects in ZnO: an approach from first principles

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5. Surface point defects on bulk oxides: atomically-resolved scanning probe microscopy

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