Chang'an Chang'an District
199 South Road
Xi'an, OH 710062
China
Shaanxi Normal University
single-atom catalysts, g-t-C3N4, nitrogen reduction reaction, first priciple calculations
density functional theory calculations, nitrogen reduction reaction, MoSe2, single-atom catalysts
electrocatalytic nitrogen reduction reaction, double-atoms catalyst, first-principles calculations
CO2 reduction, 2D materials, BAs/PtTe2 heterostructure, photocatalysis and electrocatalysis
Oxygen evolution reaction, Oxygen reduction reaction, Single atom catalysts, Constant potential, Machine learning
NO reduction reaction, single atom catalyst, electro/photocatalytic activity, implicit solvation effect, reaction pathway
Nitrogen reduction reaction, Single-atom catalysts, NRR Selectivity, Reaction pathway, Catalytic activity
Water splitting, Multifunctional materials, Nanotube, First-principles calculations, Machine Learning
Single-atom catalyst, Implicit solvent model, Reaction pathway, Constant potential model, CO2RR
