Site Selection of Niobium-Doped LiMn0.6Fe0.4PO4 and Effect on Electrochemical Properties

被引：18

作者：

Guo, Hongyuan ^{[1
]}

Liu, Ruoxuan ^{[1
]}

Li, Weida ^{[1
]}

Gu, Haoyan ^{[1
]}

Cao, Jingrui ^{[2
]}

Gong, Dongjie ^{[3
]}

Liang, Guangchuan ^{[1
,4
,5
]}

机构：

[1] Hebei Univ Technol, Inst Power Source & Ecomat Sci, Sch Mat Sci & Engn, Tianjin 300130, Peoples R China

[2] Tianjin EV Energies Co LTD, Tianjin, Peoples R China

[3] Sichuan Dev Lomon Co LTD, Chengdu 610094, Peoples R China

[4] Hebei Univ Technol, Key Lab Special Funct Mat Ecol Environm & Informat, Minist Educ, Tianjin 300130, Peoples R China

[5] Hebei Univ Technol, Key Lab New Type Funct Mat Hebei Prov, Tianjin 300130, Peoples R China

来源：

JOURNAL OF THE ELECTROCHEMICAL SOCIETY | 2023年 / 170卷 / 03期

关键词：

CATHODE MATERIAL; DEFECTS; LIFEPO4; LIMNPO4; MN; CO;

D O I：

10.1149/1945-7111/acc6f8

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

Ion doping is one of the primary means to enhance the properties of phosphate cathode materials. In this document, the DFT+U method is used to determine the selection of ion doping sites from the energy band perspective and density of state. Further, different contents of niobium-doped LiMn0.6Fe0.4-xNbxPO4(0 <= x <= 0.2) were obtained by the solid-phase method and synthesized samples were also measured and analyzed. The results show that the ion-doped modification principle is the introduction of impurity bands between the band gaps, and transition metal ions are more inclined to occupy metal sites. LiMn0.6Fe0.25Nb0.15PO4 possesses an excellent electrochemical performance, exhibiting a specific discharge capacity of 156.7 mAh g(-1) at 0.2 C. EIS proves that the electrochemical impedance of the sample is significantly reduced, and the lithium-ion diffusion coefficient increase after an appropriate amount of doping.

引用

页数：9

共 34 条

[1] Hydroxyl Defects in LiFePO4 Cathode Material: DFT plus U and an Experimental Study [J].

Aksyonov, Dmitry A. ;

Varlamova, Irina ;

Trussov, Ivan A. ;

Savina, Aleksandra A. ;

Senyshyn, Anatoliy ;

Stevenson, Keith J. ;

Abakumov, Artem M. ;

Zhugayevych, Andriy ;

Fedotov, Stanislav S. .

INORGANIC CHEMISTRY, 2021, 60 (08) :5497-5506

[2] Hydrothermal Synthesis of Monodispersed LiMnPO4 (010) Nanobelts and [001] Nanorods and Their Applications in Lithium-Ion Batteries [J].

Bao, Liang ;

Chen, Yifan ;

Xu, Gang ;

Yang, Tao ;

Ji, Zhenguo .

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2018, (13) :1533-1539

[3] Structure and effect of diamagnetism on manganese lithium phosphate glass to cathode materials application [J].

Butnoi, Pichitchai ;

Senanon, Wipada ;

Chanlek, Narong ;

Poo-arporn, Yingyot ;

Pinitsoontorn, Supree ;

Maensiri, Santi ;

Songsiriritthigul, Prayoon ;

Khemthong, Pongtanawat ;

Kidkhunthod, Pinit .

PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL, 2021, 31 (03) :420-427

[4] Effects of cationic substitution on structural defects in layered cathode materials LiNiO2 [J].

Chen, Hungru ;

Dawson, James A. ;

Harding, John H. .

JOURNAL OF MATERIALS CHEMISTRY A, 2014, 2 (21) :7988-7996

[5] Vanadium Substitution of LiFePO4 Cathode Materials To Enhance the Capacity of LiFePO4-Based Lithium-Ion Batteries [J].

Chiang, Ching-Yu ;

Su, Hui-Chia ;

Wu, Pin-Jiun ;

Liu, Heng-Jui ;

Hu, Chih-Wei ;

Sharma, Neeraj ;

Peterson, Vanessa K. ;

Hsieh, Han-Wei ;

Lin, Yu-Fang ;

Chou, Wu-Ching ;

Lee, Chih-Hao ;

Lee, Jyh-Fu ;

Shew, Bor-Yuan .

JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 116 (46) :24424-24429

[6] Synthesis and Characterization of Vanadium-Doped LiMnPO4-Compounds: LiMn(PO4)x(VO4)1-x (0.8 ≤ x ≤ 1.0) [J].

Clemens, Oliver ;

Bauer, Matthias ;

Haberkorn, Robert ;

Springborg, Michael ;

Beck, Horst Philipp .

CHEMISTRY OF MATERIALS, 2012, 24 (24) :4717-4724

[7] Lithium battery materials LiMPO4 (M = Mn, Fe, Co, and Ni):: Insights into defect association, transport mechanisms, and doping behavior [J].

Fisher, Craig A. J. ;

Prieto, Veluz M. Hart ;

Islam, M. Saiful .

CHEMISTRY OF MATERIALS, 2008, 20 (18) :5907-5915

[8] Environmentally compatible synthesis of LiMnPO4/RGO using pure water system [J].

Fu, Xiaoning ;

Chang, Kun ;

Tang, Hongwei ;

Li, Bao ;

Li, Yihui ;

Chang, Zhaorong .

SOLID STATE IONICS, 2019, 337 :115-121

[9] In-situ preparation of silk-cocoon derived carbon and LiFePO4 nanocomposite as cathode material for Li-ion battery [J].

Gangaraju, Vinay ;

Shastri, Mahesh ;

Shetty, Krushitha ;

Marilingaiah, Navya Rani ;

Anantharaju, K. S. ;

Shivaramu, Prasanna Doddakunche ;

Rangappa, Dinesh .

CERAMICS INTERNATIONAL, 2022, 48 (23) :35657-35665

[10] Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability [J].

Hautier, Geoffroy ;

Ong, Shyue Ping ;

Jain, Anubhav ;

Moore, Charles J. ;

Ceder, Gerbrand .

PHYSICAL REVIEW B, 2012, 85 (15)

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