2013
DOI: 10.1021/cm303685p
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Understanding the High Capacity of Li2FeSiO4: In Situ XRD/XANES Study Combined with First-Principles Calculations

Abstract: The electrochemical mechanism of the cathode material Li2FeSiO4 with reversible extraction/insertion of more than one Li+ from/into the structure has been studied by techniques of in situ synchrotron X-ray absorption near edge structure (XANES) and X-ray diffraction (XRD). These advanced techniques provide effective solutions to address the limitations of characterization by traditional ex situ methods. The study of in situ Fe K-edge XANES indicates that the Fe ion in the Li2FeSiO4 is oxidized continuously to … Show more

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Cited by 83 publications
(85 citation statements)
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References 35 publications
(78 reference statements)
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“…Consequently, the hollow mesocrystalline structure with the (001) exposed facets , which is consistent with the CV curves (Fig. 5b) 50,51 . Theoretically, half of the capacity (~165 mAhg −1 ) should be observed at the first charge plateau of~3.1V, corresponding to the oxidation of Fe 2+ to Fe 3+ , and another half capacity should be observed for the second charge plateau of~4.6V (Fe 3+ to Fe 4+ ) 13,47,[49][50][51][52][53] .…”
Section: Battery Performance Of Mesocrystal LI 2 Fesio 4 Hollow Discoidssupporting
confidence: 86%
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“…Consequently, the hollow mesocrystalline structure with the (001) exposed facets , which is consistent with the CV curves (Fig. 5b) 50,51 . Theoretically, half of the capacity (~165 mAhg −1 ) should be observed at the first charge plateau of~3.1V, corresponding to the oxidation of Fe 2+ to Fe 3+ , and another half capacity should be observed for the second charge plateau of~4.6V (Fe 3+ to Fe 4+ ) 13,47,[49][50][51][52][53] .…”
Section: Battery Performance Of Mesocrystal LI 2 Fesio 4 Hollow Discoidssupporting
confidence: 86%
“…Theoretically, half of the capacity (~165 mAhg −1 ) should be observed at the first charge plateau of~3.1V, corresponding to the oxidation of Fe 2+ to Fe 3+ , and another half capacity should be observed for the second charge plateau of~4.6V (Fe 3+ to Fe 4+ ) 13,47,[49][50][51][52][53] . However, the initial charge capacity at the 3.1 V plateau is less than 165 mA hg -1 (~70 mA hg −1 in this work), which has also been observed in previous work 17,18,20,21,24,27,47,50,51,[53][54][55][56][57][58][59][60][61] . This commonly observed non-ideal voltage behavior has been thoroughly investigated with theoretical calculations and experimental characterization 13,50,52,62 .…”
Section: Battery Performance Of Mesocrystal LI 2 Fesio 4 Hollow Discoidsmentioning
confidence: 99%
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“…However, XAS spectra are mostly obtained in the transmission mode, and the thick casing batteries therefore require two X-ray transparent windows at symmetric positions at the top and bottom of the cell [15,16]. To allow better penetration of the X-rays, carbon paper can be used as current collector instead of metal foils [17].…”
Section: X-ray Absorption Spectroscopymentioning
confidence: 99%