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

2014
Authors
Jugović, Dragana
Milović, Miloš

Ivanovski, Valentin N.

Avdeev, Maxim

Dominko, Robert

Jokić, Bojan

Uskoković, Dragan

Article (Accepted Version)
Metadata
Show full item recordAbstract
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 spectroscopySource:
Journal of Power Sources, 2014, 265, 75-80Funding / 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
Institution/Community
Институт техничких наука САНУ / Institute of Technical Sciences of SASATY - 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/123456789/755 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. 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_755 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.", 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_755" }
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, 265, 75-80. https://doi.org/10.1016/j.jpowsour.2014.04.121 https://hdl.handle.net/21.15107/rcub_dais_755
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_755 .
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_755 .