Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries
Stanislav S. Fedotov
1, 2, 3, 4
,
Artem Kabanov
5
,
Artem A Kabanov
6
,
Natalia A. Kabanova
5, 6
,
Vladislav A. Blatov
5, 6, 7, 8
,
A.Y. Zhugayevych
2, 4
,
Artem M. Abakumov
1, 2
,
Nellie R. Khasanova
1, 3
,
5
6
Publication type: Journal Article
Publication date: 2017-02-07
scimago Q1
wos Q3
SJR: 0.914
CiteScore: 6.2
Impact factor: 3.2
ISSN: 19327447, 19327455
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
General Energy
Abstract
In this work, we provide a structural and computational investigation of the Li2CoPO4F high-voltage cathode material by means of neutron powder diffraction (SG Pnma, a = 10.4528(2) A, b = 6.38667(10) A, c = 10.8764(2) A, RF = 0.0145), crystal chemistry approaches (Voronoi–Dirichlet partitioning and bond valence sums mapping), and density functional theory. The material reveals low energy barriers (0.12–0.43 eV) of Li hopping and a possible 3D channel system for Li-ion migration. It is found that only one Li per formula unit can be extracted within the potential stability window of the commercially available electrolytes. The interrelation between dimensionality, topology and energetics of Li-ion diffusion and peculiarities of the Li2CoPO4F crystal structure are discussed in detail.
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Total citations:
40
Citations from 2024:
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(15%)
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GOST
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Fedotov S. S. et al. Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries // Journal of Physical Chemistry C. 2017. Vol. 121. No. 6. pp. 3194-3202.
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Fedotov S. S., Kabanov A., Kabanov A. A., Kabanova N. A., Blatov V. A., Zhugayevych A., Abakumov A. M., Khasanova N. R., Antipov E. V. Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries // Journal of Physical Chemistry C. 2017. Vol. 121. No. 6. pp. 3194-3202.
Cite this
RIS
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TY - JOUR
DO - 10.1021/acs.jpcc.6b11027
UR - https://pubs.acs.org/doi/10.1021/acs.jpcc.6b11027
TI - Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries
T2 - Journal of Physical Chemistry C
AU - Fedotov, Stanislav S.
AU - Kabanov, Artem
AU - Kabanov, Artem A
AU - Kabanova, Natalia A.
AU - Blatov, Vladislav A.
AU - Zhugayevych, A.Y.
AU - Abakumov, Artem M.
AU - Khasanova, Nellie R.
AU - Antipov, Evgeny V.
PY - 2017
DA - 2017/02/07
PB - American Chemical Society (ACS)
SP - 3194-3202
IS - 6
VL - 121
SN - 1932-7447
SN - 1932-7455
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2017_Fedotov,
author = {Stanislav S. Fedotov and Artem Kabanov and Artem A Kabanov and Natalia A. Kabanova and Vladislav A. Blatov and A.Y. Zhugayevych and Artem M. Abakumov and Nellie R. Khasanova and Evgeny V. Antipov},
title = {Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries},
journal = {Journal of Physical Chemistry C},
year = {2017},
volume = {121},
publisher = {American Chemical Society (ACS)},
month = {feb},
url = {https://pubs.acs.org/doi/10.1021/acs.jpcc.6b11027},
number = {6},
pages = {3194--3202},
doi = {10.1021/acs.jpcc.6b11027}
}
Cite this
MLA
Copy
Fedotov, Stanislav S., et al. “Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries.” Journal of Physical Chemistry C, vol. 121, no. 6, Feb. 2017, pp. 3194-3202. https://pubs.acs.org/doi/10.1021/acs.jpcc.6b11027.