University Chemistry ›› 2025, Vol. 40 ›› Issue (9): 148-155.doi: 10.12461/PKU.DXHX202412099

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The Convergence and Innovative Application of Artificial Intelligence in Scientific Research: A Case Study of Electrocatalytic Carbon Dioxide Reduction in the Context of the Dual-Carbon Strategy

Haoran Zhang, Yaxin Jin, Peng Kang, Sheng Zhang   

  1. Key Laboratory for Green Chemical Technology of Ministry of Education, Collaborative Innovation Centre of Chemical Science and Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China
  • Received:2024-12-20 Accepted:2025-04-15 Published:2025-09-16
  • Contact: Sheng Zhang, Peng Kang E-mail:sheng.zhang@tju.edu.cn;kang.peng@tju.edu.cn

Abstract: Against the backdrop of rapid advancements in artificial intelligence (AI) technology worldwide, universities face significant challenges in addressing contemporary issues by integrating traditional scientific research with AI. This integration aims to broaden the perspectives of engineering graduate students, stimulate innovative thinking, enhance the efficiency of innovative outputs, and cultivate versatile talents for national and societal needs. This paper, using electrocatalytic carbon dioxide reduction (CO2RR) within the framework of carbon neutrality as a case study, underscores the importance of merging scientific research with AI to augment research output and accuracy. It highlights how AI computing facilitates the screening and prediction of high-performance catalysts, deepens the understanding of complex reaction mechanisms, optimizes electrolytes, and aids in experimental design. Furthermore, it promotes interdisciplinary collaboration and serves as a reference for engineering graduate students embarking on experimental research in universities.

Key words: Artificial intelligence, Carbon dioxide electrocatalytic reduction, Carbon neutrality, Catalyst screening, Electrolyte optimization, Reaction mechanism research, Experimental plan design