Machine-learning-assisted optimization of a single-atom coordination environment for accelerated fenton catalysis

• Main Authors: Fu, Haoyang, Li, Ke, Zhang, Chenfei, Zhang, Jianghong, Liu, Jiyuan, Chen, Xi, Chen, Guoliang, Sun, Yongyang, Li, Shuzhou, Ling, Lan
• Other Authors: School of Materials Science and Engineering
• Format: Article
• Language: English
• Published: 2023
• Subjects: Engineering::Materials; Machine Learning; Single-Atom Catalysts
• Online Access: https://hdl.handle.net/10356/171141
• Institution: Nanyang Technological University

Machine learning (ML) algorithms will be enablers in revolutionizing traditional methods of materials optimization. Here, we broaden the use of ML to assist the construction of Fenton-like single-atom catalysts (SACs) by developing a methodology including model building, training, and prediction. Ou...