Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Structural Changes during Lithiation of TiNb2O7. / Kosova, Nina V.; Tsydypylov, Dmitry Z.; Papulovskiy, Evgeniy S. и др.
в: Journal of Physical Chemistry C, Том 126, № 32, 18.08.2022, стр. 13607–13616.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Structural Changes during Lithiation of TiNb2O7
AU - Kosova, Nina V.
AU - Tsydypylov, Dmitry Z.
AU - Papulovskiy, Evgeniy S.
AU - Lapina, Olga B.
N1 - Funding Information: The authors thank the Ministry of Science and Higher Education of the Russian Federation within the governmental order for the Institute of Solid State Chemistry and Mechanochemistry SB RAS (Project FWUS-21-0006) (N. V. Kosova and D. Z. Tsydypylov) and Boreskov Institute of Catalysis (Project AAAA-A21-121011390054-1) (E. S. Papulovskiy and O. B. Lapina) for partial support of this work. Publisher Copyright: ©
PY - 2022/8/18
Y1 - 2022/8/18
N2 - TiNb2O7 with a Wadsley-Roth crystallographic shear structure was prepared by the solid-state synthesis using preliminary mechanical activation. Its structural and electrochemical properties were studied. Order/disorder in the distribution of Ti/Nb over the available metal sites was estimated using XRD and solid-state 93Nb NMR spectroscopy. Electrochemical properties were investigated by galvanostatic cycling. The analysis of Li+ migration pathways in the sample was carried out on the basis of the bond-valence site energy approach (BVSE). Structural changes during chemical lithiation/delithiation of the as-prepared TiNb2O7 were analyzed by XRD and 93Nb and 6,7Li NMR spectroscopy in combination with quantum chemical calculations.
AB - TiNb2O7 with a Wadsley-Roth crystallographic shear structure was prepared by the solid-state synthesis using preliminary mechanical activation. Its structural and electrochemical properties were studied. Order/disorder in the distribution of Ti/Nb over the available metal sites was estimated using XRD and solid-state 93Nb NMR spectroscopy. Electrochemical properties were investigated by galvanostatic cycling. The analysis of Li+ migration pathways in the sample was carried out on the basis of the bond-valence site energy approach (BVSE). Structural changes during chemical lithiation/delithiation of the as-prepared TiNb2O7 were analyzed by XRD and 93Nb and 6,7Li NMR spectroscopy in combination with quantum chemical calculations.
UR - http://www.scopus.com/inward/record.url?scp=85135969158&partnerID=8YFLogxK
U2 - 10.1021/acs.jpcc.2c03450
DO - 10.1021/acs.jpcc.2c03450
M3 - Article
AN - SCOPUS:85135969158
VL - 126
SP - 13607
EP - 13616
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
SN - 1932-7447
IS - 32
ER -
ID: 36932817