Title of article
First-principles study on electronic structure of LiFePO4
Author/Authors
Jiang، نويسنده , , Jun and Ouyang، نويسنده , , Chuying and Li، نويسنده , , Hong and Wang، نويسنده , , Zhaoxiang and Huang، نويسنده , , Xuejie and Chen، نويسنده , , Liquan، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2007
Pages
5
From page
144
To page
148
Abstract
The electronic structure and band structure of olivine LiFePO4 and its virtually delithiated product FePO4 are compared based on first-principles calculations. It is found that Li intercalation mainly impacts the electronic and band structures of the Fe atom. Total static energy calculations indicate that it is more difficult for lithium to transfer in LiFePO4 than in FePO4.
Keywords
A. Olivine LiFePO4 , D. Electronic structure , D. Electronic states
Journal title
Solid State Communications
Serial Year
2007
Journal title
Solid State Communications
Record number
1791736
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