Anchoring boron on a covalent organic framework as an efficient single atom metal-free photo-electrocatalyst for nitrogen fixation: a first-principles analysis (original) (raw)

Anchoring boron on a covalent organic framework as an efficient single atom metal-free photo-electrocatalyst for nitrogen fixation: a first-principles analysis

Physical Chemistry Chemical Physics

Abstract

Anchoring boron atom on Tp-bpy-COF can effectively reduce N2 to NH3. With the help of DFT, we demonstrate that N2 is activated by the synergistic effect of B and N. Alternating pathway is preferable with the limiting potential value of 0.13 V.

Supriti Dutta hasn't uploaded this paper.

Let Supriti know you want this paper to be uploaded.

Ask for this paper to be uploaded.