Simultaneous in Situ X-ray Absorption Spectroscopy and X-ray Diffraction Studies on Battery Materials: The Case of Fe0.5TiOPO4

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• 作者：Peter Bleith ; Wouter van Beek ; Hermann Kaiser ; Petr Nov谩k ; Claire Villevieille
• 刊名：Journal of Physical Chemistry C
• 出版年：2015
• 出版时间：February 19, 2015
• 年：2015
• 卷：119
• 期：7
• 页码：3466-3471
• 全文大小：401K
• ISSN：1932-7455

文摘

Following the reaction mechanisms of materials for Li-ion batteries under in situ conditions can provide vital new clues in the development of better battery materials. A new in situ cell was developed for such a purpose which allows an almost simultaneous measurement of XRD (X-ray diffraction) and XAS (X-ray absorption spectroscopy) at energies as low as the Ti K-edge. Change from one method to the other was possible in less than a minute at the Swiss鈥揘orwegian Beamline (SNBL). Using this cell with its flexibility in terms of windows, it was proven that the reaction mechanism of iron titanium oxyphosphate (Fe_0.5TiOPO₄) upon lithiation and delithiation consists of a combined insertion鈥揷onversion reaction with the mostly reversible reduction of Ti⁴⁺ to Ti²⁺ and Fe²⁺ to Fe⁰.