Phthalo-carbonitride nanosheets as excellent N₂ reduction reaction electrocatalysts: a first-principles study

Abstract

Based on the density functional theory computation, a series of transition metal atoms anchored on phthalo−carbonitride (pc−C3N2) nanosheet have been investigated for the nitrogen reduction reaction (NRR). The results show...

Magnetic Order Transition of a Two-Dimensional Square-Lattice Electrocatalyst Assembled by Fe–N4 Units: Crucial Role on Oxygen Reduction

“…Considering only the anchoring radius, this unique structure enables it to serve as a macrocyclic ligand, constructing COFs with Fe–N 4 units by anchoring Fe atoms, denoted as Fe–N 4 @COF–C 3 N 2 . Panels b and c of Figure depict two different types of Fe–N 4 @COF–C 3 N 2 structural units with lattice parameter a = 8.23 Å. − …”