The first principles and experimental study on Mn-doped LiFePO4
Dou Jun-Qing; Kang Xue-Ya; Tuerdi Wumair; Hua Ning; Han Ying
2012
发表期刊ACTA PHYSICA SINICA
ISSN1000-3290
卷号61期号:8
摘要

The electronic structures of pure and Mn-doped LiFePO4 are studied using density functional theory (DFT). The results demonstrate that the pure LiFePO4 has a band gap of 0.725 eV, while the 25% Mn doped LiFe0.75Mn0.25PO4 has the smallest band gap (0.469 eV), and the weakest Fe-O and Li-O bond, which indicates that the electronic conductivity and the ionic conductivity of the doped LiFePO4 are improved due to doping. On the other hand, the experimental results also show that the LiFe0.75Mn0.25PO4 has the best electrochemical performance and it delivers a very high capacity of 158 mAh.g(-1) and a high energy density of 551 Wh.kg(-1).

关键词Lifepo4 Li-ion Batteries First Principles Density Functional Theory
学科领域Physics
收录类别SCI
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/1633
专题新疆维吾尔自治区电子信息材料与器件重点实验室
作者单位Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China;Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China
推荐引用方式
GB/T 7714
Dou Jun-Qing,Kang Xue-Ya,Tuerdi Wumair,et al. The first principles and experimental study on Mn-doped LiFePO4[J]. ACTA PHYSICA SINICA,2012,61(8).
APA Dou Jun-Qing,Kang Xue-Ya,Tuerdi Wumair,Hua Ning,&Han Ying.(2012).The first principles and experimental study on Mn-doped LiFePO4.ACTA PHYSICA SINICA,61(8).
MLA Dou Jun-Qing,et al."The first principles and experimental study on Mn-doped LiFePO4".ACTA PHYSICA SINICA 61.8(2012).
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
The first principles(869KB)期刊论文作者接受稿开放获取CC BY-NC-SA浏览 请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Dou Jun-Qing]的文章
[Kang Xue-Ya]的文章
[Tuerdi Wumair]的文章
百度学术
百度学术中相似的文章
[Dou Jun-Qing]的文章
[Kang Xue-Ya]的文章
[Tuerdi Wumair]的文章
必应学术
必应学术中相似的文章
[Dou Jun-Qing]的文章
[Kang Xue-Ya]的文章
[Tuerdi Wumair]的文章
相关权益政策
暂无数据
收藏/分享
文件名: The first principles and experimental study on Mn-doped LiFePO4.pdf
格式: Adobe PDF
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。