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@ARTICLE{Choi:860250,
author = {Choi, Ji Ung and Park, Yun Ji and Jo, Jae Hyeon and Kuo,
Liang-Yin and Kaghazchi, Payam and Myung, Seung-Taek},
title = {{U}nraveling the {R}ole of {E}arth-{A}bundant {F}e in the
{S}uppression of {J}ahn–{T}eller {D}istortion of
{P}′2-{T}ype {N}a 2/3 {M}n{O} 2 : {E}xperimental and
{T}heoretical {S}tudies},
journal = {ACS applied materials $\&$ interfaces},
volume = {10},
number = {48},
issn = {1944-8252},
address = {Washington, DC},
publisher = {Soc.},
reportid = {FZJ-2019-01034},
pages = {40978 - 40984},
year = {2018},
abstract = {Layered Na2/3MnO2 suffers from capacity loss due to
Jahn–Teller (J–T) distortion by Mn3+ ions. Herein,
density functional theory calculations suggest
Na2/3[FexMn1–x]O2 suppresses the J–T effect. The Fe
substitution results in a decreased oxygen–metal–oxygen
length, leading to decreases in the b and c lattice
parameters but an increase in the a lattice constant. As a
result, the capacity retention and rate capability are
enhanced with an additional redox pair associated with
Fe4+/3+. Finally, the thermal properties are improved, with
the Fe substitution delaying the exothermic reaction and
reducing exothermic heat.},
cin = {IEK-1},
ddc = {600},
cid = {I:(DE-Juel1)IEK-1-20101013},
pnm = {131 - Electrochemical Storage (POF3-131)},
pid = {G:(DE-HGF)POF3-131},
typ = {PUB:(DE-HGF)16},
pubmed = {pmid:30431251},
UT = {WOS:000452694100003},
doi = {10.1021/acsami.8b16522},
url = {https://juser.fz-juelich.de/record/860250},
}