可充电镁电池负极材料及界面化学的研究进展

文恬恬, 岳继礼, 熊方宇, 袁媛, 黄光胜, 王敬丰, 潘复生

Research Progress on Anode Materials and Interfacial Chemistry for Rechargeable Magnesium Batteries

WEN Tiantian, YUE Jili, XIONG Fangyu, YUAN Yuan, HUANG Guangsheng, WANG Jingfeng, PAN Fusheng

图6 吸附能和扩散能的理论计算：Mg原子在不同Mg和MgIn晶面上的吸附能^[65]；四氢呋喃(THF)、乙二醇二甲醚(DME)、二乙二醇二甲醚(G2)和2-甲氧基乙胺(MOEA)分子在Mg(0001)上的吸附模型和吸附能^[51]；Mg在Mg₃Sb₂和MgCl₂中的迁移能垒^[66]；Mg²⁺在各种无机镁化合物中的扩散能垒^[67]

Fig.6 Theoretical calculation of adsorption energy and diffusion energy
(a) calculated adsorption energies of Mg atoms onto different Mg and MgIn crystal facets^[65]
(b) adsorption models and energies of THF, glyme (DME), G2, and 2-methoxyethylamine (MOEA) molecules on Mg (0001)^[51](SEI—solid electrolyte interphase)
(c) calculated Mg migration energy barriers in bulk Mg₃Sb₂ and MgCl₂^[66]
(d) summary of the calculated diffusion barriers of Mg²⁺ in various inorganic Mg compounds^[67]