Structural study of monoclinic Li2FeSiO4 by X-ray diffraction and Mössbauer spectroscopy
Аутори
Jugović, DraganaMilović, Miloš
Ivanovski, Valentin N.
Avdeev, Maxim
Dominko, Robert
Jokić, Bojan
Uskoković, Dragan
Чланак у часопису (Рецензирана верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
lithium iron silicate / Li2FeSiO4 / cathode materials / Rietveld X-ray refinement / Mössbauer spectroscopyИзвор:
Journal of Power Sources, 2014, 265, 75-80Издавач:
- Elsevier B.V.
Финансирање / пројекти:
- Молекуларно дизајнирање наночестица контролисаних морфолошких и физичко-хемијских карактеристика и функционалних материјала на њиховој основи (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45004)
- Истраживање интерметалика и полупроводника и могућа примена у обновљивим изворима енергије (RS-MESTD-Basic Research (BR or ON)-171001)
- Bilateral cooperation program between the Republic of Serbia and the Republic of Slovenia, Project 651-03-1251/2012-09/05
Напомена:
- Published version: https://technorep.tmf.bg.ac.rs/handle/123456789/5787
- This is the peer-reviewed version of the following article: 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. https://doi.org/10.1016/j.jpowsour.2014.04.121
Повезане информације:
- Верзија документа
https://technorep.tmf.bg.ac.rs/handle/123456789/5787 - Верзија документа
https://doi.org/10.1016/j.jpowsour.2014.04.121
DOI: 10.1016/j.jpowsour.2014.04.121
ISSN: 0378-7753 (Print); 1873-2755 (Online)
WoS: 000337879400013
Scopus: 2-s2.0-84900857654
Институција/група
Tehnološko-metalurški fakultetTY - 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 - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5786 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 B.V. T2 - Journal of Power Sources T1 - Structural study of monoclinic Li2FeSiO4 by X-ray diffraction and Mössbauer spectroscopy EP - 80 SP - 75 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.", publisher = "Elsevier B.V.", journal = "Journal of Power Sources", title = "Structural study of monoclinic Li2FeSiO4 by X-ray diffraction and Mössbauer spectroscopy", pages = "80-75", 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 Elsevier B.V.., 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 .