Nitrogen reduction reaction, Single-atom catalysts, Heterogeneous N-heterocyclic Carbenes, High-throughput screening, Machine Learning
Synergistic effect of single-atom/nanocluster, Saturated asymmetric coordination configuration, Peroxymonosulfate activation, High-valent cobalt-oxo species
urea synthesis, Oxygen vacancy, transition metal carbides, Electrocatalysis, density functional theory (DFT)
d-band center, d10 electronic configuration, Photocatalytic CO2 reduction evolution, CH4 formation, Cation exchange
N-Heterocyclic Carbene, Metal-Free Catalyst, CO Electroreduction Reaction, Multi-Carbon Products, Density functional theory