基于苯并噻二唑的用于电催化产氢的小分子有机物
Small Organic Molecule Based on Benzothiadiazole for Electrocatalytic Hydrogen Production.
作者信息
Axelsson Martin, Marchiori Cleber F N, Huang Ping, Araujo C Moyses, Tian Haining
机构信息
Department of Chemistry-Ångström Laboratory, Uppsala University, Uppsala SE 751 20, Sweden.
Department of Engineering and Physics, Karlstad University, Karlstad 65188, Sweden.
出版信息
J Am Chem Soc. 2021 Dec 22;143(50):21229-21233. doi: 10.1021/jacs.1c10600. Epub 2021 Dec 2.
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 evolution is proposed.
一种有机小分子2,1,3-苯并噻二唑-4,7-二腈（BTDN）在玻碳电极上进行了电催化析氢评估，在水杨酸存在下其析氢法拉第效率为82%。通过各种光谱方法和基于密度泛函理论（DFT）的计算对还原态BTDN的关键催化中间体和质子化中间体进行了表征或推测。结合实验和理论结果，提出了BTDN电催化析氢的催化机理。
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