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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 H₂ evolution is proposed.

SUBMITTER: Axelsson M

PROVIDER: S-EPMC8704194 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature

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Small Organic Molecule Based on Benzothiadiazole for Electrocatalytic Hydrogen Production.

Axelsson Martin M Marchiori Cleber F N CFN Huang Ping P Araujo C Moyses CM Tian Haining H

Journal of the American Chemical Society 20211202 50

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<sup>-•</sup> and protonated intermediates are characterized or hypothesized by using various spectroscopic methods and density functional theory (DFT)-based calculations. With the experimental and ...[more]

PMID: 34855386

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