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On-surface synthesis of tailored organic platforms for single metal atoms
Recent advances in nanomaterials have pushed the boundaries of nanoscale fabrication to the limit of single atoms, particularly in heterogeneous catalysis. Single atom... -
Effect of the OH functionalization on the catalytic activity of single-atom c...
<p>The existence of the hydroxyl ligand on a single- atom catalyst embedded in graphene, especially Fe(OH)−N4−C is suggested to improve the oxygen reduction... -
Oxygen reduction reaction on single-atom catalysts from density functional th...
We present a density functional theory study of the oxygen reduction reaction (ORR) on a single atom catalyst embedded in graphene, namely, TM-N₄-C (TM = Fe and Co), using the... -
Dual activation and C-C coupling on single atom catalyst for CO₂ photoreduction
An excellent single-atomic photocatalyst, Ti@C₄N₃, is theoretically found to effectively convert CO₂ to C₂H₆ by density functional theory (DFT) calculations and non-adiabatic...
