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Ni2+替代對LiFePO4正極材料電化學(xué)性能的影響
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國家青年自然科學(xué)基金項目（11074032）；國家自然科學(xué)基金項目（11074039）


Effect of Ni2+ Substitution on the Electrochemical Performance of LiFePO4
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    摘要:

    利用炭熱還原法合成了橄欖石型LiFe1-xNixPO4/C (x=0.0，0.1，0.3，0.5) 正極材料，并系統(tǒng)研究了Ni2+替代對材料電化學(xué)性能的影響。充放電循環(huán)、循環(huán)伏安和交流阻抗測試，結(jié)果表明Ni2+替代部分Fe2+可以顯著改善LiFePO4材料的電化學(xué)性能。在0.2 C (1 C=170.0 mA·g-1)電流密度下，LiFe0.9Ni0.1PO4/C的放電比容量達(dá)到160 mAh·g-1。LiFe1-xNixPO4/C電化學(xué)性能的改善歸因于材料電導(dǎo)率的提高和電荷傳輸電阻的降低。利用第一性原理對LiFe1-xNixPO4/C的電子結(jié)構(gòu)進(jìn)行了研究，結(jié)果表明Ni2+的鐵位替代能夠提高體系的電子電導(dǎo)性。LiFe0.875Ni0.125PO4的結(jié)構(gòu)最穩(wěn)定，帶隙最小，導(dǎo)電性能最好

    Abstract:

    LiFe1-xNixPO4/C (x=0.0, 0.1, 0.3, 0.5) cathode materials were synthesized by a carbothermal reduction technique and the effect of Ni2+ substitution on the electrochemical performances were systematically investigated. The results reveal that the cycle performance and electrochemical reversibility of LiFePO4 are remarkably improved with the substitution of Fe2+ ions by Ni2+ ions and LiFe0.9Ni0.1PO4/C demonstrates good electrochemical performances with discharge capacity of 160 mAh·g-1 at a discharge rate of 0.2 C (1 C=170.0 mA·g-1). The improvement of the reversible capacity and the high C-rate performance of LiFePO4 could be attributed to the enhancement of the electronic conductivity and the decrease of the charge transfer resistance. The first-principle calculations were employed to investigate the electronic structures of the LiFe1-xNixPO4/C composites. The Lattice parameters, total energies, density of states have were also studies in details. The results show that the electronic conductivity of the Ni2+-doped materials can be improved to certain extent. LiFe0.875Ni0.125PO4 has the most stable structure, the smallest band gap and the best conductivity

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林 瑩,吳 景,許桂貴,毛嚇梅,陳美玲,戴 穎,林雅云,林應(yīng)斌,黃志高. Ni2+替代對LiFePO4正極材料電化學(xué)性能的影響[J].稀有金屬材料與工程,2013,42(12):2563~2569.[Lin Ying, Wu Jing, Xu Guigui, Mao Xiamei, Chen Meilin, Dai Ying, Lin Yayun, Lin Yingbin, Huang Zhigao. Effect of Ni2+ Substitution on the Electrochemical Performance of LiFePO4[J]. Rare Metal Materials and Engineering,2013,42(12):2563~2569.]
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  • 收稿日期:2012-12-18
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