Advances in renewable energy storage are necessary before the technology can become widespread due to the intermittency of energy supply. Hydrogen is a promising energy storage solution due to its high energy density and carbon-free emissions. In nature, the [FeFe]-hydrogenase enzyme efficiently catalyzes the reduction of protons to hydrogen. Inspired by this process, several small molecule analogs were investigated which maintained the [2Fe-2S] cluster core found within the catalytically active site of the enzyme. Density functional theory was used to screen for desirable catalytic features; promising candidates were then synthesized for use as hydrogen producing catalysts. Electrochemistry, spectroelectrochemistry, calculations, and simulations were employed to gain mechanistic insights into their electrocatalytic behavior and measure their observed catalytic rates and overpotentials. Additionally, these catalysts were appended with polymer chains to form water-soluble metallopolymers whose current density and overpotentials compete with platinum at neutral pH.<br/>

Mechanistic investigations of [2Fe-2S] clusters for the electrocatalytic production of hydrogen

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.