My researches mainly focus on nanomaterial catalysis/electrocatalysis. Specifically, through diverse strategies (e.g. morphology engineering, composition engineering, interfice engineering & high-entropy), high performanced nanocatalysts on fuel cells, water splitting, nitrate reduction & contaminant degradation are designed. In the process, density functional theory (DFT) and machine learning (ML) are combined to predict the properties of products, to help modify the materials and to explain the catalytic mechanism.