Why Ni is absent from the surface of La2NiO4+delta?

Ji Wu; Stevin S. Pramana; Stephen J. Skinner; John A. Kilner; Andrew P. Horsfield

doi:10.1039/c5ta03759j

Why Ni is absent from the surface of La2NiO4+delta?

Ji Wu, Stevin S. Pramana, Stephen J. Skinner, John A. Kilner, Andrew P. Horsfield

Research output: Contribution to journal › Article › peer-review

38 Scopus citations

Abstract

The calculated Gibbs reaction energy of La2NiO4 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 La2NiO4.

Original language	English (US)
Pages (from-to)	23760-23767
Number of pages	8
Journal	JOURNAL OF MATERIALS CHEMISTRY A
Volume	3
Issue number	47
DOIs	https://doi.org/10.1039/c5ta03759j
State	Published - 2015
Externally published	Yes

Bibliographical note

KAUST Repository Item: Exported on 2021-10-08
Acknowledgements: The 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.
This publication acknowledges KAUST support, but has no KAUST affiliated authors.

Access to Document

10.1039/c5ta03759j

Cite this

@article{eccb366bc63b42f7bdb9c96d96e02583,

title = "Why Ni is absent from the surface of La2NiO4+delta?",

abstract = "The calculated Gibbs reaction energy of La2NiO4 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 La2NiO4.",

author = "Ji Wu and Pramana, {Stevin S.} and Skinner, {Stephen J.} and Kilner, {John A.} and Horsfield, {Andrew P.}",

note = "KAUST Repository Item: Exported on 2021-10-08 Acknowledgements: The 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. This publication acknowledges KAUST support, but has no KAUST affiliated authors.",

year = "2015",

doi = "10.1039/c5ta03759j",

language = "English (US)",

volume = "3",

pages = "23760--23767",

journal = "JOURNAL OF MATERIALS CHEMISTRY A",

issn = "2050-7496",