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Output details

13 - Electrical and Electronic Engineering, Metallurgy and Materials

Imperial College London : B - Metallurgy and Materials

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Output 12 of 140 in the submission

Article title

Anisotropic oxygen diffusion in tetragonal La2NiO4+delta: molecular dynamics calculations

Type

D - Journal article

DOI

10.1039/b917118e

Title of journal

Journal of Materials Chemistry

Article number

Volume number

Issue number

First page of article

266

ISSN of journal

0959-9428

Year of publication

2010

URL

Number of additional authors

Additional information

La2NiO4+d novel oxygen excess (interstitial) mixed conducting oxide previously shown by JK to have rapid oxygen transport for high temp electrochemical electrode applications. Material contains no Sr, (known to be a durability problem with comparable materials in SOFC), durability since confirmed. Oxygen was known to be mobile from previous experiment and simulation but several possible migration mechanisms. These calculations gave prediction of the interstitialcy mechanism and first visualisation showing oxygen octahedral tilt allowing the interstitial to move. Led to collaboration with ICMAB Bordeaux to quantify anisotropy. Chroneos was RA, awarded Marie Curie Fellowship and now lecturer at OU.

Interdisciplinary

Cross-referral requested

Research group

None

Proposed double-weighted

Double-weighted statement

Reserve for a double-weighted output

Non-English

English abstract