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

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	Understanding the High Capacity of Li2FeSiO4: In Situ XRD/XANES Study Combined with First-Principles Calculations
	Lv, Dongping ; Bai, Jingyu ; Zhang, Peng ; Wu, Shunqing ; Li, Yixiao ; Wen, Wen ; Jiang, Zheng ; Mi, Jinxiao ; Zhu, Zizhong ; Yang, Yong
刊名	CHEMISTRY OF MATERIALS
	2013
卷号	25 期号:10 页码:CONCATENATE(Sheet1!I385,-Sheet1!J385)
ISSN号	0897-4756
英文摘要	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 Kedge XANES indicates that the Fe ion in the Li2FeSiO4 is oxidized continuously to high valence during the charging process from open circuit potential to 4.8 V, which contributes to the high reversible capacities of the materials. In situ XRD and theoretical study from first-principles calculations have been employed to reveal the structural evolution of the Li2FeSiO4 underlying the high capacity during the charge/discharge process. The results of both experimental and theoretical studies are consistent and indicate that Li2FeSiO4 undergoes two two-phase reactions when the electrode is charged to a high voltage of 4.8 V.
收录类别	SCI
语种	英语
WOS记录号	WOS:000319856000002
公开日期	2014-06-13
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/13979]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
推荐引用方式 GB/T 7714	Lv, Dongping,Bai, Jingyu,Zhang, Peng,et al. Understanding the High Capacity of Li2FeSiO4: In Situ XRD/XANES Study Combined with First-Principles Calculations[J]. CHEMISTRY OF MATERIALS,2013,25(10):CONCATENATE(Sheet1!I385,-Sheet1!J385).
APA	Lv, Dongping.,Bai, Jingyu.,Zhang, Peng.,Wu, Shunqing.,Li, Yixiao.,...&Yang, Yong.(2013).Understanding the High Capacity of Li2FeSiO4: In Situ XRD/XANES Study Combined with First-Principles Calculations.CHEMISTRY OF MATERIALS,25(10),CONCATENATE(Sheet1!I385,-Sheet1!J385).
MLA	Lv, Dongping,et al."Understanding the High Capacity of Li2FeSiO4: In Situ XRD/XANES Study Combined with First-Principles Calculations".CHEMISTRY OF MATERIALS 25.10(2013):CONCATENATE(Sheet1!I385,-Sheet1!J385).