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Theory and experimental study on electrochemical performance of LiFePO4 by Cu and Mg Co-Doped based on Density functional theory

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成果类型:
期刊论文
作者:
Gang Wu;Peng Wu;Bo Huang;Wenhao Zhu*
通讯作者:
Wenhao Zhu
作者机构:
[Gang Wu; Peng Wu; Wenhao Zhu] College of Mechanical and Vehicle Engineering, Changsha University of Science and Technology, Changsha 410114, China
[Bo Huang] Chengnan College, Changsha University of Science and Technology, Changsha, 410114, China
通讯机构:
[Wenhao Zhu] C
College of Mechanical and Vehicle Engineering, Changsha University of Science and Technology, Changsha 410114, China
语种:
英文
期刊:
Electrochimica Acta
ISSN:
0013-4686
年:
2025
页码:
146534
基金类别:
CRediT authorship contribution statement Gang Wu: Writing – original draft, Software, Methodology, acquisition, Data curation. Peng Wu: Writing – review & editing, Validation, Software, Methodology, Investigation, Data curation. Bo Huang: Visualization, Software, Resources. Wenhao Zhu: Writing – review & editing, Validation, Supervision, Project administration, Methodology, Conceptualization.
机构署名:
本校为第一且通讯机构
院系归属:
城南学院
摘要:
In order to improve the electrochemical performance of LiFePO 4 (LFP) electrode, Cu and Mg co-doped LFP cathode materials were synthesized via a high-temperature solid-state reaction method. The phase purity and morphology were characterized by X-ray diffraction(XRD) and scanning electron microscopy(SEM). Based on co-doped cathode material, the coin-type cells was assembled for galvanostatic charge-discharge testing. The combined synergistic effect of co-doping into LFP were investigated through density functional theory(DFT) calculations. The first-principles calculation method was employed t...

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