Interfacial Charge Transfer Driven by Surface Termination-Controlled Ti2C MXene for Enhanced Hydrogen Storage in Magnesium

Abstract

Two-dimensional transition metal carbides and nitrides (MXenes) with layered structure and high conductivity have been effectively utilized in various energy materials, including as a catalytic support of MgH2 for hydrogen storage. However, the terminal groups formed on the surface during etching step tend to deactivate reactive Mg metal and add dead mass, thereby deteriorating the catalytic role of MXene in hydrogen sorption of Mg. We exploited a molten-salt derived MXene with easily modifiable –Cl terminations, compared to conventional –O, –OH and –F groups, and synthesized a composite of Mg and delaminated Ti2CClx MXene to improve hydrogen storage performance of Mg through charge transfer. This strategy enables the formation of intimate interface between Mg and MXene, facilitating charge transfer and thereby boosting catalytic effect. The resulting composite demonstrates significantly enhanced hydrogen sorption kinetics by modulating Mg–H bond strength. This novel approach of modifying surface terminations leverages the unique properties of MXene as a superior support for active materials, offering broader applications in energy materials.