新型液态金属电池正极材料的探索研究

来源 :材料科学与工艺 | 被引量 : 0次 | 上传用户:jj80022084
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利用液态金属电池储能是近年来发展起来的一种新型电化学储能技术,具有成本低、寿命长等优点,在大型储能领域具有广阔的应用前景.传统单一组分的正极材料面临熔点高、电压低等问题,而合金材料则给液态金属电池正极材料提供了新的可能.本文通过分子动力学方法计算多种适用于液态金属电池正极材料的金属和合金材料(Bi、Sb、Te、Sn、Pb),经过多尺度计算模拟,首先找到了 30种二元合金和三元合金,分析这些合金材料的形成能,发现均为负值,理论上说明这30种二元合金和三元合金均可以稳定存在.而后,筛选出具有较低熔点(<500℃)的正极合金,分别是SnSb、HgTl、InBi、PbSb、HgIn、InTe、GaSb、AlSb、CdSnSb2、ZnSb.进一步分析合金正极材料的态密度,选出7种离子传输能力较强的正极合金:PbSb、HgIn、CdSnSb2、ZnSnSb2、InTe、SnSb和SnTl4Te3,模拟计算其以锂为负极情况下的开路电压,结果表明,以SnSb为正极材料时,开路电压可达0.65 V.
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