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Small Organic Molecule Based on Benzothiadiazole for Electrocatalytic Hydrogen Production
Martin Axelsson1, Cleber F N Marchiori2, Ping Huang1
1Department of Chemistry-Ångström Laboratory, Uppsala University, Uppsala SE 751 20, Sweden.
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.
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