Extracting the redox orbitals in Li battery materials with high-resolution x-ray compton scattering spectroscopy.
نویسندگان
چکیده
We present an incisive spectroscopic technique for directly probing redox orbitals based on bulk electron momentum density measurements via high-resolution x-ray Compton scattering. Application of our method to spinel Li_{x}Mn_{2}O_{4}, a lithium ion battery cathode material, is discussed. The orbital involved in the lithium insertion and extraction process is shown to mainly be the oxygen 2p orbital. Moreover, the manganese 3d states are shown to experience spatial delocalization involving 0.16±0.05 electrons per Mn site during the battery operation. Our analysis provides a clear understanding of the fundamental redox process involved in the working of a lithium ion battery.
منابع مشابه
Title Extracting the Redox Orbitals in Li Battery Materials with High-Resolution X-Ray Compton Scattering Spectroscopy
High-Resolution X-Ray Compton Scattering Spectroscopy Author(s) Suzuki, K.; Barbiellini, B.; Orikasa, Y.; Go, N.; Sakurai, H.; Kaprzyk, S.; Itou, M.; Yamamoto, K.; Uchimoto, Y.; Wang, Yung Jui; Hafiz, H.; Bansil, A.; Sakurai, Y. Citation Physical Review Letters (2015), 114(8) Issue Date 2015-02-25 URL http://hdl.handle.net/2433/194170 Right © 2015 American Physical Society. Type Journal Article...
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ورودعنوان ژورنال:
- Physical review letters
دوره 114 8 شماره
صفحات -
تاریخ انتشار 2015