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@ARTICLE{Li:605338,
author = {Li, Yongchun and Mazzio, Katherine and Yaqoob, Najma and
Sun, Yanan and Freytag, Annica I. and Wong, Deniz and
Schulz, Christian and Baran, Volodymyr and San Jose Mendez,
Alba and Schuck, Götz and Zając, Marcin and Kaghazchi,
Payam and Adelhelm, Philipp},
title = {{C}ompeting {M}echanisms {D}etermine {O}xygen {R}edox in
{D}oped {N}i–{M}n {B}ased {L}ayered {O}xides for
{N}a‐{I}on {B}atteries},
journal = {Advanced materials},
volume = {36},
number = {18},
issn = {0935-9648},
address = {Weinheim},
publisher = {Wiley-VCH},
reportid = {PUBDB-2024-01425},
pages = {2309842},
year = {2023},
abstract = {Cation doping is an effective strategy for improving the
cyclability of layered oxide cathode materials through
suppression of phase transitions in the high voltage region.
In this study, Mg and Sc are chosen as dopants in
P2-Na$_{0.67}$Ni$_{0.33}$Mn$_{0.67}$O$_2$, and both have
found to positively impact the cycling stability, but
influence the high voltage regime in different ways. Through
a combination of synchrotron-based methods and theoretical
calculations it is shown that it is more than just
suppression of the P2 to O2 phase transition that is
critical for promoting the favorable properties, and that
the interplay between Ni and O activity is also a critical
aspect that dictates the performance. With Mg doping, the Ni
activity can be enhanced while simultaneously suppressing
the O activity. This is surprising because it is in contrast
to what has been reported in other Mn-based layered oxides
where Mg is known to trigger oxygen redox. This
contradiction is addressed by proposing a competing
mechanism between Ni and Mg that impacts differences in O
activity in Na$_{0.67}$MgxNi$_{0.33-x}$Mn$_{0.67}$O$_2$ (x <
0 < 0.33). These findings provide a new direction in
understanding the effects of cation doping on the
electrochemical behavior of layered oxides.},
cin = {FS-PETRA-D / DOOR ; HAS-User},
ddc = {660},
cid = {I:(DE-H253)FS-PETRA-D-20210408 /
I:(DE-H253)HAS-User-20120731},
pnm = {632 - Materials – Quantum, Complex and Functional
Materials (POF4-632) / 6G3 - PETRA III (DESY) (POF4-6G3)},
pid = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G3},
experiment = {EXP:(DE-H253)P-P02.1-20150101},
typ = {PUB:(DE-HGF)16},
pubmed = {pmid:38269958},
UT = {WOS:001150573000001},
doi = {10.1002/adma.202309842},
url = {https://bib-pubdb1.desy.de/record/605338},
}