光催化CO2转化中的变革性方法：人工智能和计算化学的影响

IF 9.3 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Current Opinion in Green and Sustainable Chemistry Pub Date : 2025-04-11 DOI:10.1016/j.cogsc.2025.101027

Nur Umisyuhada Mohd Nor , Khaireddin Boukayouht , Samir El Hankari , Nor Aishah Saidina Amin

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引用次数: 0

摘要

光催化CO2转化是利用太阳能减少大气CO2的一种很有前途的方法。这篇综述强调了该领域的变革性方法，重点关注人工智能和计算化学的影响。讨论了光催化CO2转化的基本原理，人工智能在优化过程中的作用，以及密度泛函理论（DFT）对理解机理和改进催化剂设计的贡献。通过将人工智能与DFT相结合，探索了增强催化剂开发和工艺效率的协同方法。该综述还讨论了当前的挑战和未来的研究方向，强调了人工智能和计算化学在推进可持续二氧化碳转化技术方面的潜力。

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Transformative approaches in photocatalytic CO2 conversion: The impact of AI and computational chemistry

Photocatalytic CO₂ conversion is a promising method for reducing atmospheric CO₂ using solar energy. This review highlights transformative approaches in this field, focusing on the impact of artificial intelligence and computational chemistry. The fundamentals of photocatalytic CO₂ conversion, the role of AI in optimizing processes, and the contributions of Density Functional Theory (DFT) to understanding mechanisms and improving catalyst design are discussed. By integrating AI with DFT, synergistic methods that enhance catalyst development and process efficiency are explored. The review also addresses current challenges and future research directions, emphasizing the potential of artificial intelligent and computational chemistry to advance sustainable CO₂ conversion technologies.

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来源期刊

Current Opinion in Green and Sustainable Chemistry Chemical Engineering-Catalysis

CiteScore

16.00

自引率

2.20%

发文量

140

审稿时长

103 days

期刊介绍： The Current Opinion journals address the challenge specialists face in keeping up with the expanding information in their fields. In Current Opinion in Green and Sustainable Chemistry, experts present views on recent advances in a clear and readable form. The journal also provides evaluations of the most noteworthy papers, annotated by experts, from the extensive pool of original publications in Green and Sustainable Chemistry.