Open AccessLocal structure and electronic structure of LiFePO4 as a cathode for lithium-ion batteries
Author(s) -
Fahmi Astuti,
Vera Laviara Maghfirohtuzzoimah,
Sahara Hamas Intifadhah,
Pelangi Az-Zahra,
Rizal Arifin,
Wantana Klysubun,
Mochamad Zainuri,
Darminto Darminto
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1951/1/012007
Subject(s) - electronic structure , x ray absorption spectroscopy , antiferromagnetism , ion , lithium (medication) , x ray photoelectron spectroscopy , materials science , xanes , cathode , absorption spectroscopy , spectroscopy , chemistry , computational chemistry , condensed matter physics , nuclear magnetic resonance , physics , medicine , organic chemistry , quantum mechanics , endocrinology
The local and electronic structure are significant to determine the performance of electrodes in lithium-ion batteries (LIB). Here we report the local structure of LiFePO 4 as a cathode of LIB studied by Fe K-edge on X-ray absorption spectroscopy (XAS). The mixture of oxidation state of Fe ion (Fe 2+ /Fe 3+ ) and the nearest neighbor of Fe atom were reported in this study. Furthermore, the preliminary study of electronic structure shown by the calculated density of states in antiferromagnetic spin configurations exhibited the prominent role of on-site Coulomb interactions in LiFePO 4 material.