Realization of Mg2+ intercalation in a thermodynamically stable layer-structured oxide

• Published in: RSC advances Vol. 14; no. 44; pp. 32262 - 32266
• Main Authors: Zhang, Junhao, Guan, Haotian, Jili Yue, Lu, Yangfan, Li, Qian, Huang, Guangsheng, Wang, Jingfeng, Qu, Baihua, Pan, Fusheng
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 09-10-2024; The Royal Society of Chemistry
• Subjects: Cathodes; Chemistry; Electrode materials; Electrolytes; First principles; Intercalation; Magnesium; Metal foils
• ISSN: 2046-2069; 2046-2069
• DOI: 10.1039/d4ra03923h

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 K0.5MnO2 with an enlarged lattice spacing as a model cathode material employing optimized electrolytes, enabling Mg2+ intercalation into the K0.5MnO2 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 Mg2+ in the layered oxide. This work can pave the way to understanding the fundamental intercalation behavior of Mg2+ in magnesium batteries.