Output details
13 - Electrical and Electronic Engineering, Metallurgy and Materials
Imperial College London : B - Metallurgy and Materials
Anisotropic oxygen diffusion in tetragonal La2NiO4+delta: molecular dynamics calculations
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.