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Publication Year
2013 (2)
Type

Electronic, transport and optical properties of nanostructured materials

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info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171033/RS//

Electronic, transport and optical properties of nanostructured materials (en)
Електронске, транспортне и оптичке особине нанофазних материјала (sr)
Elektronske, transportne i optičke osobine nanofaznih materijala (sr_RS)
Authors

Publications

Crystal structure analysis and first principle investigation of F doping in LiFePO4

Milović, Miloš; Jugović, Dragana; Cvjetićanin, Nikola; Uskoković, Dragan; Milošević, Aleksandar S.; Popović, Zoran S.; Vukajlović, Filip R.

(2013)

TY  - JOUR
AU  - Milović, Miloš
AU  - Jugović, Dragana
AU  - Cvjetićanin, Nikola
AU  - Uskoković, Dragan
AU  - Milošević, Aleksandar S.
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 2013
UR  - http://dais.sanu.ac.rs/123456789/752
AB  - This work presents the synthesis of F-doped LiFePO4/C composite by the specific modification of the recently suggested synthesis procedure based on an aqueous precipitation of precursor material in molten stearic acid, followed by a high temperature treatment. Besides the lattice parameters and the primitive cell volume reductions, compared to the undoped sample synthesized under the same conditions, the Rietveld refinement also shows that fluorine ions preferably occupy specific oxygen sites. Particularly, the best refinement is accomplished when fluorine ions occupy O(2) sites exclusively. By means of up-to-date electronic structure and total energy calculations this experimental finding is theoretically confirmed. Such fluorine doping also produces closing of the gap in the electronic structure and consequently better conductivity properties of the doped compound. In addition, the morphological and electrochemical performances of the synthesized powder are fully characterized.
T2  - Journal of Power Sources
T1  - Crystal structure analysis and first principle investigation of F doping in LiFePO4
SP  - 70
EP  - 79
VL  - 241
DO  - 10.1016/j.jpowsour.2013.04.109
ER  - 
@article{
author = "Milović, Miloš and Jugović, Dragana and Cvjetićanin, Nikola and Uskoković, Dragan and Milošević, Aleksandar S. and Popović, Zoran S. and Vukajlović, Filip R.",
year = "2013",
url = "http://dais.sanu.ac.rs/123456789/752",
abstract = "This work presents the synthesis of F-doped LiFePO4/C composite by the specific modification of the recently suggested synthesis procedure based on an aqueous precipitation of precursor material in molten stearic acid, followed by a high temperature treatment. Besides the lattice parameters and the primitive cell volume reductions, compared to the undoped sample synthesized under the same conditions, the Rietveld refinement also shows that fluorine ions preferably occupy specific oxygen sites. Particularly, the best refinement is accomplished when fluorine ions occupy O(2) sites exclusively. By means of up-to-date electronic structure and total energy calculations this experimental finding is theoretically confirmed. Such fluorine doping also produces closing of the gap in the electronic structure and consequently better conductivity properties of the doped compound. In addition, the morphological and electrochemical performances of the synthesized powder are fully characterized.",
journal = "Journal of Power Sources",
title = "Crystal structure analysis and first principle investigation of F doping in LiFePO4",
pages = "70-79",
volume = "241",
doi = "10.1016/j.jpowsour.2013.04.109"
}
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Crystal structure analysis and first principle investigation of F doping in LiFePO4

Milović, Miloš; Jugović, Dragana; Cvjetićanin, Nikola; Uskoković, Dragan; Milošević, Aleksandar S.; Popović, Zoran S.; Vukajlović, Filip R.

(Elsevier, 2013)

TY  - JOUR
AU  - Milović, Miloš
AU  - Jugović, Dragana
AU  - Cvjetićanin, Nikola
AU  - Uskoković, Dragan
AU  - Milošević, Aleksandar S.
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 2013
UR  - http://dais.sanu.ac.rs/123456789/369
AB  - This work presents the synthesis of F-doped LiFePO4/C composite by the specific modification of the recently suggested synthesis procedure based on an aqueous precipitation of precursor material in molten stearic acid, followed by a high temperature treatment. Besides the lattice parameters and the primitive cell volume reductions, compared to the undoped sample synthesized under the same conditions, the Rietveld refinement also shows that fluorine ions preferably occupy specific oxygen sites. Particularly, the best refinement is accomplished when fluorine ions occupy O(2) sites exclusively. By means of up-to-date electronic structure and total energy calculations this experimental finding is theoretically confirmed. Such fluorine doping also produces closing of the gap in the electronic structure and consequently better conductivity properties of the doped compound. In addition, the morphological and electrochemical performances of the synthesized powder are fully characterized.
PB  - Elsevier
T2  - Journal of Power Sources
T1  - Crystal structure analysis and first principle investigation of F doping in LiFePO4
SP  - 70
EP  - 79
VL  - 241
DO  - 10.1016/j.jpowsour.2013.04.109
ER  - 
@article{
author = "Milović, Miloš and Jugović, Dragana and Cvjetićanin, Nikola and Uskoković, Dragan and Milošević, Aleksandar S. and Popović, Zoran S. and Vukajlović, Filip R.",
year = "2013",
url = "http://dais.sanu.ac.rs/123456789/369",
abstract = "This work presents the synthesis of F-doped LiFePO4/C composite by the specific modification of the recently suggested synthesis procedure based on an aqueous precipitation of precursor material in molten stearic acid, followed by a high temperature treatment. Besides the lattice parameters and the primitive cell volume reductions, compared to the undoped sample synthesized under the same conditions, the Rietveld refinement also shows that fluorine ions preferably occupy specific oxygen sites. Particularly, the best refinement is accomplished when fluorine ions occupy O(2) sites exclusively. By means of up-to-date electronic structure and total energy calculations this experimental finding is theoretically confirmed. Such fluorine doping also produces closing of the gap in the electronic structure and consequently better conductivity properties of the doped compound. In addition, the morphological and electrochemical performances of the synthesized powder are fully characterized.",
publisher = "Elsevier",
journal = "Journal of Power Sources",
title = "Crystal structure analysis and first principle investigation of F doping in LiFePO4",
pages = "70-79",
volume = "241",
doi = "10.1016/j.jpowsour.2013.04.109"
}
23
27
28