新型液态金属电池正极材料的探索研究  

Research on the new cathode material of liquid metal battery

作　　者：徐丽 王博 韩福盛 赵广耀 刘双宇 盛鹏 李慧 白会涛 陈新 宁晓辉 何成[2] XU Li;WANG Bo;HAN Fusheng;ZHAO CGuangyao;LIU Shuangyu;SHENG Peng;LI Hui;BAI Hitao;CHEN Xin;NING Xiaohui;HE Cheng(State Key Laboratory of Advanced Power jTransmission Technology(Global Energy Intemnet Co.,Ltd.),Beijing 102211,China;State Key Laboratory for Mechanical Behavior of Materials(Xian Jiaotong University),Xi'an 710049,China)

机构地区：[1]先进输电技术国家重点实验室(全球能源互联网有限公司),北京102211 [2]金属材料强度国家重点实验室(西安交通大学),西安710049

出　　处：《材料科学与工艺》2021年第2期20-26,共7页Materials Science and Technology

基　　金：国家自然科学基金资助项目(51471124,U1766216);国家重点研发计划项目(2018YFB0905600);陕西省自然科学基金资助项目(2019JM-189);中国国家电网科技项目(SGGR0000DWJS1800781)。

摘　　要：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。The use of liquid metal battery energy storage is a new type of electrochemical energy storage technology developed in recent years.It has the advantages of low cost and long life,and has broad application prospects in the field of large-scale energy storage.Conventional single-component cathode materials face problems such as high melting point and low voltage,while alloy materials offer new possibilities for liquid metal battery cathode materials.In this paper,molecular dynamics method was used to calculate a variety of metal and alloy materials(Bi,Sb,Te,Sn,Pb)suitable for liquid metal battery cathode materials.After multi-scale calculation and simulation,30 binary and tenary alloys were firstly selected.Analysis of the formation energies of these alloy materials show that they were all negative.Theoretically,these 30 binary and ternary alloys can exist stably.Then,the positive electrode alloys with lower melting points(<500℃)were screened out,which were SnSb,HgTl,InBi,PbSb,HgIn,InTe,GaSb,AlSb,CdSnSb2 and ZnSb.Finally,after further analysis of the state density of the alloy material,seven kinds of positive electrode alloys with strong ion transport ability were selected,namely,PbSb,HgIn,CdSnSb2,ZnSnSb2,InTe and SnTl4Te3.The open circuit voltages of the seven materials with lithium as the negative electrode were calculated.

关 键 词：电化学储能 液态金属电池 正极材料 开路电压 分子动力学 

分 类 号：TK5[动力工程及工程热物理—热能工程]