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@ARTICLE{Schlenz:908710,
author = {Schlenz, Hartmut and Baumann, Stefan and Meulenberg,
Wilhelm Albert and Guillon, Olivier},
title = {{T}he {D}evelopment of {N}ew {P}erovskite-{T}ype {O}xygen
{T}ransport {M}embranes {U}sing {M}achine {L}earning},
journal = {Crystals},
volume = {12},
number = {7},
issn = {2073-4352},
address = {Basel},
publisher = {MDPI},
reportid = {FZJ-2022-02779},
pages = {947 -},
year = {2022},
abstract = {The aim of this work is to predict suitable chemical
compositions for the development of new ceramic oxygen gas
separation membranes, avoiding doping with toxic cobalt or
expensive rare earths. For this purpose, we have chosen the
system Sr1−xBax(Ti1−y−zVyFez)O3−δ (cubic
perovskite-type phases). We have evaluated available
experimental data, determined missing crystallographic
information using bond-valence modeling and programmed a
Python code to be able to generate training data sets for
property predictions using machine learning. Indeed,
suitable compositions of cubic perovskite-type phases can be
predicted in this way, allowing for larger electronic
conductivities of up to σe = 1.6 S/cm and oxygen
conductivities of up to σi = 0.008 S/cm at T = 1173 K and
an oxygen partial pressure pO2 = 10−15 bar, thus enabling
practical applications.},
cin = {IEK-1 / JARA-ENERGY},
ddc = {540},
cid = {I:(DE-Juel1)IEK-1-20101013 / $I:(DE-82)080011_20140620$},
pnm = {1232 - Power-based Fuels and Chemicals (POF4-123)},
pid = {G:(DE-HGF)POF4-1232},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000832380100001},
doi = {10.3390/cryst12070947},
url = {https://juser.fz-juelich.de/record/908710},
}