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Structural study of monoclinic Li2FeSiO4 by X-ray diffraction and Mössbauer spectroscopy

Authorized Users Only
2014
Authors
Jugović, Dragana
Milović, Miloš
Ivanovski, Valentin N.
Avdeev, Maxim
Dominko, Robert
Jokić, Bojan
Uskoković, Dragan
Article (Published version)
Metadata
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Abstract
A composite powder Li2FeSiO4/C is synthesized through a solid state reaction at 750 °C. The Rietveld crystal structure refinement is done in the monoclinic P21/n space group. It is found that the crystal structure is prone to “antisite” defect where small part of iron ion occupies exclusively Li(2) crystallographic position, of two different lithium tetrahedral positions (Li(1) and Li(2)). This finding is also confirmed by Mössbauer spectroscopy study: the sextet evidenced in the Mössbauer spectrum is assigned to the iron ions positioned at the Li(2) sites. A bond-valence energy landscape calculation is used to predict the conduction pathways of lithium ions. The calculations suggest that Li conductivity is two-dimensional in the (101) plane. Upon galvanostatic cyclings the structure starts to rearrange to inverse βII polymorph.
Keywords:
lithium iron silicate / Li2FeSiO4 / cathode materials / Rietveld X-ray refinement / Mössbauer spectroscopy
Source:
Journal of Power Sources, 2014, 265, 75-80
Publisher:
  • Elsevier
Funding / projects:
  • Molecular designing of nanoparticles with controlled morphological and physicochemical characteristics and functional materials based on them (RS-45004)
  • Investigation of intermetallics and semiconductors and possible application in renewable energy sources (RS-171001)
  • Bilateral cooperation program between the Republic of Serbia and the Republic of Slovenia, Project 651-03-1251/2012-09/05

DOI: 10.1016/j.jpowsour.2014.04.121

ISSN: 0378-7753 (Print); 1873-2755 (Online)

WoS: 000337879400013

Scopus: 2-s2.0-84900857654
[ Google Scholar ]
12
12
Handle
https://hdl.handle.net/21.15107/rcub_dais_542
URI
https://dais.sanu.ac.rs/123456789/542
Collections
  • ИТН САНУ - Општа колекција / ITS SASA - General collection
Institution/Community
Институт техничких наука САНУ / Institute of Technical Sciences of SASA
TY  - JOUR
AU  - Jugović, Dragana
AU  - Milović, Miloš
AU  - Ivanovski, Valentin N.
AU  - Avdeev, Maxim
AU  - Dominko, Robert
AU  - Jokić, Bojan
AU  - Uskoković, Dragan
PY  - 2014
UR  - https://dais.sanu.ac.rs/123456789/542
AB  - A composite powder Li2FeSiO4/C is synthesized through a solid state reaction at 750 °C. The Rietveld crystal structure refinement is done in the monoclinic P21/n space group. It is found that the crystal structure is prone to “antisite” defect where small part of iron ion occupies exclusively Li(2) crystallographic position, of two different lithium tetrahedral positions (Li(1) and Li(2)). This finding is also confirmed by Mössbauer spectroscopy study: the sextet evidenced in the Mössbauer spectrum is assigned to the iron ions positioned at the Li(2) sites. A bond-valence energy landscape calculation is used to predict the conduction pathways of lithium ions. The calculations suggest that Li conductivity is two-dimensional in the (101) plane. Upon galvanostatic cyclings the structure starts to rearrange to inverse βII polymorph.
PB  - Elsevier
T2  - Journal of Power Sources
T1  - Structural study of monoclinic Li2FeSiO4 by X-ray diffraction and Mössbauer spectroscopy
SP  - 75
EP  - 80
VL  - 265
DO  - 10.1016/j.jpowsour.2014.04.121
UR  - https://hdl.handle.net/21.15107/rcub_dais_542
ER  - 
@article{
author = "Jugović, Dragana and Milović, Miloš and Ivanovski, Valentin N. and Avdeev, Maxim and Dominko, Robert and Jokić, Bojan and Uskoković, Dragan",
year = "2014",
abstract = "A composite powder Li2FeSiO4/C is synthesized through a solid state reaction at 750 °C. The Rietveld crystal structure refinement is done in the monoclinic P21/n space group. It is found that the crystal structure is prone to “antisite” defect where small part of iron ion occupies exclusively Li(2) crystallographic position, of two different lithium tetrahedral positions (Li(1) and Li(2)). This finding is also confirmed by Mössbauer spectroscopy study: the sextet evidenced in the Mössbauer spectrum is assigned to the iron ions positioned at the Li(2) sites. A bond-valence energy landscape calculation is used to predict the conduction pathways of lithium ions. The calculations suggest that Li conductivity is two-dimensional in the (101) plane. Upon galvanostatic cyclings the structure starts to rearrange to inverse βII polymorph.",
publisher = "Elsevier",
journal = "Journal of Power Sources",
title = "Structural study of monoclinic Li2FeSiO4 by X-ray diffraction and Mössbauer spectroscopy",
pages = "75-80",
volume = "265",
doi = "10.1016/j.jpowsour.2014.04.121",
url = "https://hdl.handle.net/21.15107/rcub_dais_542"
}
Jugović, D., Milović, M., Ivanovski, V. N., Avdeev, M., Dominko, R., Jokić, B.,& Uskoković, D.. (2014). Structural study of monoclinic Li2FeSiO4 by X-ray diffraction and Mössbauer spectroscopy. in Journal of Power Sources
Elsevier., 265, 75-80.
https://doi.org/10.1016/j.jpowsour.2014.04.121
https://hdl.handle.net/21.15107/rcub_dais_542
Jugović D, Milović M, Ivanovski VN, Avdeev M, Dominko R, Jokić B, Uskoković D. Structural study of monoclinic Li2FeSiO4 by X-ray diffraction and Mössbauer spectroscopy. in Journal of Power Sources. 2014;265:75-80.
doi:10.1016/j.jpowsour.2014.04.121
https://hdl.handle.net/21.15107/rcub_dais_542 .
Jugović, Dragana, Milović, Miloš, Ivanovski, Valentin N., Avdeev, Maxim, Dominko, Robert, Jokić, Bojan, Uskoković, Dragan, "Structural study of monoclinic Li2FeSiO4 by X-ray diffraction and Mössbauer spectroscopy" in Journal of Power Sources, 265 (2014):75-80,
https://doi.org/10.1016/j.jpowsour.2014.04.121 .,
https://hdl.handle.net/21.15107/rcub_dais_542 .

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