Machine Learning Assisted Understanding and Discovery of CO<sub>2</sub> Reduction Reaction Electrocatalyst
Erhai Hu, Chuntai Liu, Wei Zhang, Qingyu Yan
Abstract
High Resolution Image Download MS PowerPoint Slide Electrochemical CO 2 reduction reaction (CO 2 RR) is an important process which is a potential way to recycle excessive CO 2 in the atmosphere. Although the electrocatalyst is the key toward efficient CO 2 RR, the progress of discovering effective catalysts is lagging with current methods. Because of the cost and time efficiency of the modern machine learning (ML) algorithm, an increasing number of researchers have applied ML to accelerate the screening of suitable catalysts and to deepen our understanding in the mechanism. Hence, we reviewed recent applications of ML in the research of CO 2 RR by the types of electrocatalyst. An introduction on the general methodology and a discussion on the pros and cons for such applications are included.