Hui-Yang Zhang

Unveiling Methane Selectivity on Cu-Based Single-Atom Alloys for CO2 Electroreduction via Synergistic DFT and Machine Learning.

Electrochemical CO2 reduction offers a sustainable route for converting CO2 into value-added fuels and chemicals, yet achieving efficient methane production remains challenging because of the complex reaction network and insufficient catalyst selectivity. Herein, density functional theory combined with interpretable ma...