Review
Open Access
Integrating AI and material science: MXene synthesis, preparation, and applications
1 School of Materials Science and Engineering, China University of Petroleum (East China), Qingdao, China
2 Civil Aircraft Fire Science and Safety Engineering Key Laboratory of Sichuan Province, Civil Aviation Flight University of China, Guanghan, Sichuan, China
3 College of Smart Energy Shanghai Jiao Tong University, Shanghai, China
4 Zhejiang Key Laboratory of Data-Driven High-Safety Energy Materials and Applications, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, P. R. China
5 Milky-Way Sustainable Energy Ltd, Zhuhai, China
  • Volume
  • Citation
    Lv K, Wan H, Qi C, Wang W, Liu X, et al. Integrating AI and material science: MXene synthesis, preparation, and applications. AI Mater. 2025(1):0004, https://doi.org/10.55092/aimat20250004. 
  • DOI
    10.55092/aimat20250004
  • Copyright
    Copyright2025 by the authors. Published by ELSP.
Abstract

Recent research on two-dimensional anion exchange membranes has highlighted the potential of MXene-based anion exchange membranes in advanced applications. This review provides a comprehensive summary of the preparation strategies for high-quality MXene materials, including methods such as hydrofluoric acid (HF) etching, electrochemical processes, hydrothermal synthesis, and artificial intelligence (AI)-assisted approaches. Various film-forming techniques, such as vacuum filtration, casting, electrospinning, and AI-driven neural network optimization, are also discussed for their role in producing uniform and stable MXene membranes. A detailed examination of interlayer spacing regulation reveals its critical influence on ion exchange membrane performance, particularly with regard to ion transport mechanisms, rates, pathways, selective permeability, and membrane stability. AI has emerged as a transformative tool in this domain, significantly enhancing material discovery and optimization processes by improving synthesis efficiency and tailoring properties for specific applications. The review further explores advanced strategies for interlayer spacing regulation, including surface functionalization, intercalation chemistry, composite formation with nanomaterials and polymers, and predictive modeling using neural networks. Beyond conventional applications in energy storage and catalysis, MXene materials demonstrate exceptional promise in AI-related fields due to their outstanding electrical conductivity, tunable surface chemistry, and mechanical flexibility. These properties position MXenes as key enablers for next-generation AI hardware systems, such as neuromorphic computing, intelligent sensing, and data storage. This work underscores the importance of integrating MXene research with AI to drive future advancements in both materials science and emerging technologies.

Keywords

MXene; artificial intelligence; electrolysis; hydrogen production; anion exchange membrane

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