Electronic structure of Li-inserted V6O13 battery cathodes: Rigid band behavior and effects of hybridization
(2005) In Applied Physics Letters 86(6).- Abstract
- Resonant soft x-ray emission (SXE) spectroscopy was used to study the electronic structure of LixV6O13 battery cathodes. We observe that the V 3d-bands Of V6O13 exhibit a rather rigid behavior. Upon lithiation, electrons enter the top of the valence band and add intensity to the corresponding part of the V L-emission spectrum without significantly distorting the lower lying bands. We perform ab initio calculations which are in good agreement with the experimental results. Moreover, we find that lithiation leads to an overall decrease of the V 3d-O 2p hybridization. In contrast to x-ray diffraction, it is possible to study charge transfer effects in Li-batteries with SXE spectroscopy over the entire lithiation range.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/250813
- author
- Schmitt, Thorsten LU ; Augustsson, A ; Nordgren, J ; Duda, L C ; Howing, J ; Gustafsson, T ; Schwingenschlogl, U and Eyert, V
- organization
- publishing date
- 2005
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Applied Physics Letters
- volume
- 86
- issue
- 6
- publisher
- American Institute of Physics (AIP)
- external identifiers
-
- wos:000227355200087
- scopus:21044453634
- ISSN
- 0003-6951
- DOI
- 10.1063/1.1861125
- language
- English
- LU publication?
- yes
- id
- 16df91ef-f1c9-46af-b992-399d3ffb7fcc (old id 250813)
- date added to LUP
- 2016-04-01 12:24:00
- date last changed
- 2022-04-21 06:54:18
@article{16df91ef-f1c9-46af-b992-399d3ffb7fcc, abstract = {{Resonant soft x-ray emission (SXE) spectroscopy was used to study the electronic structure of LixV6O13 battery cathodes. We observe that the V 3d-bands Of V6O13 exhibit a rather rigid behavior. Upon lithiation, electrons enter the top of the valence band and add intensity to the corresponding part of the V L-emission spectrum without significantly distorting the lower lying bands. We perform ab initio calculations which are in good agreement with the experimental results. Moreover, we find that lithiation leads to an overall decrease of the V 3d-O 2p hybridization. In contrast to x-ray diffraction, it is possible to study charge transfer effects in Li-batteries with SXE spectroscopy over the entire lithiation range.}}, author = {{Schmitt, Thorsten and Augustsson, A and Nordgren, J and Duda, L C and Howing, J and Gustafsson, T and Schwingenschlogl, U and Eyert, V}}, issn = {{0003-6951}}, language = {{eng}}, number = {{6}}, publisher = {{American Institute of Physics (AIP)}}, series = {{Applied Physics Letters}}, title = {{Electronic structure of Li-inserted V6O13 battery cathodes: Rigid band behavior and effects of hybridization}}, url = {{http://dx.doi.org/10.1063/1.1861125}}, doi = {{10.1063/1.1861125}}, volume = {{86}}, year = {{2005}}, }