Bioinspired Electro-Organocatalytic Material Efficient for Hydrogen Production

Chemistry. 2018 Mar 2;24(13):3305-3313. doi: 10.1002/chem.201705655. Epub 2018 Feb 5.

Abstract

Commercial carbon fibers can be used as electrodes with high conductive surfaces in reduced devices. Oxidative treatment of such electrodes results in a chemically robust material with high catalytic activity for electrochemical proton reduction, enabling the measurement of quantitative faradaic yields (>95 %) and high current densities. Combination of experiments and DFT calculations reveals that the presence of carboxylic groups triggers such electrocatalytic activity in a bioinspired manner. Analogously to the known Hantzsch esters, the oxidized carbon fiber material is able to transfer hydrides, which can react with protons, generating H2 , or with organic substrates resulting in their hydrogenation. A plausible mechanism is proposed based on DFT calculations on model systems.

Keywords: biomimetic chemistry; electrochemistry; hydrides; hydrogen; materials science.