Zhang Junhao, Guan Haotian, Yue Jili, Lu Yangfan, Li Qian, Huang Guangsheng, Wang Jingfeng, Qu Baihua, Pan Fusheng
College of Materials Science and Engineering, National Engineering Research Center for Magnesium Alloys, National Innovation Center for Industry-Education Integration of Energy Storage Technology, Chongqing University Chongqing 400044 China
Chongqing Institute of New Energy Storage Materials and Equipment Chongqing 401135 China.
RSC Adv. 2024 Oct 14;14(44):32262-32266. doi: 10.1039/d4ra03923h. eCollection 2024 Oct 9.
Magnesium batteries have emerged as one of the considerable choices for next-generation batteries. Oxide compounds have attracted great attention as cathodes for magnesium batteries because of their high output voltages and ease of synthesis. However, a majority of the reported results are based on metastable nanoscale oxide materials. This study puts forward a thermodynamically stable layer-structured oxide KMnO with an enlarged lattice spacing as a model cathode material employing optimized electrolytes, enabling Mg intercalation into the KMnO framework in a real magnesium battery directly using Mg foil as the anode. First-principles calculations implied that the enlarged layer spacing could decrease the migration energy barrier of Mg in the layered oxide. This work can pave the way to understanding the fundamental intercalation behavior of Mg in magnesium batteries.
镁电池已成为下一代电池的重要选择之一。氧化物化合物因其高输出电压和易于合成而作为镁电池的阴极备受关注。然而，大多数报道的结果是基于亚稳态的纳米级氧化物材料。本研究提出了一种具有扩大晶格间距的热力学稳定的层状结构氧化物KMnO作为模型阴极材料，并采用优化的电解质，使得在以镁箔为阳极的实际镁电池中，镁能够直接嵌入KMnO框架。第一性原理计算表明，扩大的层间距可以降低镁在层状氧化物中的迁移能垒。这项工作可为理解镁在镁电池中的基本嵌入行为铺平道路。
