Authors
Hao Xu, Yue Li, Tian Xie, Arafat Hossain Khan, Fengzhan Sun, Zhao Li, Lingyue Liu, Zhaohui Yang, Xinlong Xie, Huayu Qiu, Quanquan Guo, Tian Sun, Xingyuan Chu, Jingwei Du, Jianxin Zou, Xinliang Feng, Minghao Yu
Published in
Advanced materials (Deerfield Beach, Fla.). Pages e75285. Oct 05, 2026. Epub Oct 05, 2026.
Abstract
Rechargeable magnesium batteries offer a compelling pathway toward sustainable energy storage, yet realizing this vision demands scalable electrolytes formulated with widely accessible salts, such as magnesium bis(trifluoromethanesulfonyl)imide (Mg(TFSI)2). Progress in Mg(TFSI)2-based electrolytes has been severely hindered by low Mg stripping/plating efficiency, arising from sluggish Mg2+ desolvation kinetics and uncontrolled interfacial reactions. Herein, we adopt a descriptor-informed molecular screening approach and identify 4-bromo-N, N-dimethylaniline (BrNNA) as an interface-active electrolyte component that enables fast Mg stripping/plating kinetics in Mg(TFSI)2-based electrolytes. Recognizing their relevance to interface modulation, dipole moment, lowest unoccupied molecular orbital energy, and donor number are employed as quantifiable molecular descriptors to screen a series of substituted aniline derivatives, from which BrNNA emerges as the optimal candidate. The optimized BrNNA-containing electrolyte supports immediate and stable Mg electrochemistry without activation, sustaining over 2400 h at 0.1 mA cm-2 in symmetric cells and achieving cumulative areal capacities up to 5 Ah cm-2 at 10 mA cm-2. We reveal that BrNNA participates in Mg2+ solvation while preferentially adsorbing onto the Mg surface, lowering the Mg2+ desolvation barrier and directing the formation of a thin Br-containing interface that facilitates interfacial Mg2+ transport. Moreover, the electrolyte has been validated in full Mg cells using various cathode materials.
PMID:
42834441
Bibliographic data and abstract were imported from PubMed on 06 Oct 2026.
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