Small Organic Molecule Based on Benzothiadiazole for Electrocatalytic Hydrogen Production

Abstract

A small organic molecule 2,1,3-benzothiadiazole-4, 7-dicarbonitrile (BTDN) is assessed for electrocatalytic hydrogen evolution on glassy carbon electrode and shows a hydrogen production Faradaic efficiency of 82% in the presence of salicylic acid. The key catalytic intermediates of reduced species BTDN –• and protonated intermediates are characterized or hypothesized by using various spectroscopic methods and density functional theory (DFT)-based calculations. With the experimental and theoretical results, a catalytic mechanism of BTDN for electrocatalytic H 2 evolution is proposed.

Mechanism of CO2 Capture and Release on Redox-Active Organic Electrodes

“…More importantly, the shift of the peak as a result of two-electron reduction is greater than the shift as a result of one-electron reduction. The lower shift of the peak induced by reduction of BTZ derivatives in FTIR measurement was also reported by Axelsson et al, suggesting that it was caused from delocalization of the radical in BTZ . Besides, they mentioned that two-electron reduction of the BTZ derivative in combination with a proton was plausible through disproportionation reactions .…”

Preparation, characterization, evaluation and mechanistic study of organic polymer nano-photocatalysts for solar fuel production

“…can work as an electrocatalyst for hydrogen evolution. 114 The mechanism was mainly studied using electrochemical methods, where cyclic voltammetry was used to identify specific reductions and protonation events and bulk electrolysis could confirm catalytic hydrogen evolution. The catalytic intermediates were characterised using spectro-electrochemical methods to capture spectra of the intermediates in both UV-vis and IR.…”

Synergistic Contribution of Oligo(ethylene glycol) and Fluorine Substitution of Conjugated Polymer Photocatalysts toward Solar Driven Sacrificial Hydrogen Evolution

“…Based on these calculations, the fluorine substituents may have considerable effects on stabilizing the transition state, thus leading to more efficient proton adsorption to the N site of BT. [45,66] In addition, Woods et al reported that the higher relative dielectric permittivity of conjugated polymer causes the adsorption of water, stabilizing the photogenerated charge carriers. [22] Collectively, we demonstrated that the increased permittivity of P3 would decrease the transition potential for proton reduction reaction, predicted by DFT.…”