Electronic structure of Li2Fe1?xMnxP2O7 for lithium-ion battery studied by resonant photoemission spectroscopy

1st Conference on Light and Particle Beams in Materials Science 2013

物理学;材料科学

Horiba, Koji^1,2,3 ; Ito, Shota^1 ; Kurosumi, Shodai^1 ; Nagamura, Naoka^1,2 ; Toyoda, Satoshi^1,2 ; Kumigashira, Hiroshi^3,4 ; Oshima, Masaharu^1,2 ; Furuta, Naoya^5 ; Nishimura, Shin-Ichi^5 ; Yamada, Atsuo^5 ; Mizuno, Noritaka^1

Department of Applied Chemistry, University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8656, Japan^1

Synchrotron Radiation Research Organization, University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8656, Japan^2

Photon Factory, Institute of Materials Structure Science, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki 305-0801, Japan^3

Precursory Research for Embryonic Science and Technology, Japan Science and Technology Agency, Gobancho Building, Gobancho, Chiyodaku, 102-0076, Japan^4

Department of Chemical System Engineering, University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8656, Japan^5

关键词: High-Fe;    Mn substitution;    Partial density of state;    Peak shift;    Redox potentials;    Resonant photoemission spectroscopy;    Spin state;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/502/1/012004/pdf
DOI  :  10.1088/1742-6596/502/1/012004

学科分类：材料科学（综合）

来源: IOP

【 摘 要 】

In order to clarify changes in the electronic structures, especially Fe partial density of states (DOS), of Li2Fe1-xMnxP2O7 with Mn substitution, we have performed x-ray absorption spectroscopy and resonant photoemission spectroscopy (RPES) experiments for Li2Fe1-xMnxP2O7. Using RPES teqniques, we have succeeded in extracting the Fe2+partial DOS. We have found the systematic shift to higher binding energy and broadening of Fe 3d t2g down-spin states accompanying with the Mn substitution. The peak shift of the Fe 3d t2g down-spin states is matched very well to the change of Fe3+/Fe2+redox potential, suggesting that the origin of high Fe3+/Fe2+redox potential in Li2Fe1-xMnxP2O7 is the shift of the Fe 3d t2g down-spin states to the higher binding energy with Mn substitution.