Sep 2026
Flat-Band-Assisted Nitrogen Reduction on M-N4 Single-Atom Catalysts in a Two-Dimensional Tetraaza[8]circulene Framework
The porphyrin-like M-N4 coordination environment embedded in two-dimensional (2D) lattices represents a compelling design principle for single-atom electrocatalysts (SACs) targeting the electrochemical nitrogen reduction reaction (eNRR). Density functional theory (DFT) calculations were employed to investigate 2D tet...
M. Senthilkumar, Venkata Surya Kumar Choutipalli, Naga Venkateswara Rao Nulakani et al.
· ACS Applied Energy Materials · 0 citations