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Abstract<p>The calculated Gibbs reaction energy of La<sub>2</sub>NiO<sub>4</sub> decomposition (left) and the proposed resulting layered structure (right) provide an explanation for the experimentally observed Ni-absent surfaces and Ni-enriched subsurface layers on La<sub>2</sub>NiO<sub>4</sub>.</p>
CitationWu, J., Pramana, S. S., Skinner, S. J., Kilner, J. A., & Horsfield, A. P. (2015). Why Ni is absent from the surface of La2NiO4+δ? Journal of Materials Chemistry A, 3(47), 23760–23767. doi:10.1039/c5ta03759j
SponsorsThe authors would like to thank the King Abdullah University of Science and Technology (KAUST) for funding this work through a KAUST-Imperial College Academic Excellence Alliance award. This work made use of the high performance computing facilities of Imperial College London and – via our membership of the UK's HEC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202) – of the ARCHER UK National Supercomputing Service.
PublisherRoyal Society of Chemistry (RSC)
JournalJOURNAL OF MATERIALS CHEMISTRY A