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@ARTICLE{Buvat:889841,
author = {Buvat, Gaëtan and Eslamibidgoli, Mohammad J. and
Garbarino, Sébastien and Eikerling, Michael and Guay,
Daniel},
title = {{OER} {P}erformances of {C}ationic {S}ubstituted
(100)-{O}riented {I}r{O} 2 {T}hin {F}ilms: {A} {J}oint
{E}xperimental and {T}heoretical {S}tudy},
journal = {ACS applied energy materials},
volume = {3},
number = {6},
issn = {2574-0962},
address = {Washington, DC},
publisher = {ACS Publications},
reportid = {FZJ-2021-00449},
pages = {5229 - 5237},
year = {2020},
abstract = {Cationic substitution was investigated as a strategy to
increase the electrocatalytic activity of IrO2-based films
for the oxygen evolution reaction (OER). For this purpose,
an approach that combines detailed experimental
characterization with quantum mechanical calculations based
on density functional theory was employed. A series of
(100)-oriented Ir1–xMxO2 thin films, with M = Ni, Cr, Mo,
W, Sn, Pt, Rh, Ru, V, and Mn, was prepared with a one-step
synthesis approach based on pulsed laser deposition, and the
electrocatalytic activity of these films for the OER was
measured. Matching material compositions and structures were
generated in silico for DFT-based calculations of their
electronic structure and OER pathway. A comparison of the
experimental and theoretical results revealed the viable
activity descriptor, paving the way for a systematic search
to find the most active Ir-based OER catalyst.},
cin = {IEK-13},
ddc = {540},
cid = {I:(DE-Juel1)IEK-13-20190226},
pnm = {113 - Methods and Concepts for Material Development
(POF3-113)},
pid = {G:(DE-HGF)POF3-113},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000543715100018},
doi = {10.1021/acsaem.0c00069},
url = {https://juser.fz-juelich.de/record/889841},
}