Open AccessSmall Organic Molecule Based on Benzothiadiazole for Electrocatalytic Hydrogen Production
Author(s) -
Martin Axelsson,
Cleber F. N. Marchiori,
Ping Huang,
C. Moysés Araújo,
Haining Tian
Publication year - 2021
Publication title -
journal of the american chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 7.115
H-Index - 612
eISSN - 1520-5126
pISSN - 0002-7863
DOI - 10.1021/jacs.1c10600
Subject(s) - chemistry , protonation , catalysis , molecule , faraday efficiency , density functional theory , hydrogen , electrode , hydrogen production , computational chemistry , electrochemistry , organic chemistry , ion
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.