Small Organic Molecule Based on Benzothiadiazole for Electrocatalytic Hydrogen Production | Zendy

Martin Axelsson | Zendy; Cleber F. N. Marchiori | Zendy; Ping Huang | Zendy; C. Moysés Araújo | Zendy; Haining Tian | Zendy

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Small 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 , electrocatalyst , hydrogen production , electrode , computational chemistry , combinatorial 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.

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