Oxide-ion diffusion in brownmillerite-type Ca2AlMnO5+δ from first-principles calculations-Reference-Cited by-同舟云学术

Oxide-ion diffusion in brownmillerite-type Ca2AlMnO5+δ from first-principles calculations

Author:

Matsumoto Ushio¹²³^ORCID,Kuwabara Akihide¹^ORCID,Fisher Craig A. J.¹^ORCID,Moriwake Hiroki¹^ORCID,Tanaka Isao¹³

Affiliation:

1. Nanostructures Research Laboratory, Japan Fine Ceramics Center, 2-4-1 Mutsuno, Atsuta-ku, Nagoya 456-8587, Japan

2. Digital Innovation Center, Furukawa Electric Co., Ltd., 4-3 Okano 2, Nishi-ku, Yokohama 220-0073, Japan

3. Department of Materials Science and Engineering, Kyoto University, Kyoto 505-8501, Japan

Abstract

Oxide-ion diffusion pathways in brownmillerite oxides Ca2AlMnO5 and Ca2AlMnO5.5 are systematically investigated using first-principles calculations.

Funder

Japan Society for the Promotion of Science

Japan Science and Technology Agency

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference32 articles.

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