One of the main challenges of widespread production of hydrogen and reduction of carbon dioxide for renewable energy applications is to develop efficient and selective catalysts with earth-abundant metals. We present two very similar iron carbonyl clusters for CO2 and proton reduction. We have observed that while the nitride-containing iron cluster selectively reduces CO2 to formate in the presence of protons, the closely related carbide cluster only produces hydrogen gas. Experimentally determined thermochemical parameters (hydricity and pKa values) are used to explain such observations. Other catalyst design and performance features will be discussed. Also, we will present very recent data on ultrafast hydrogen production by metal carbonyl cluster catalysts.

Mechanistic details and thermodynamic insights for electrocatalytic reduction of CO<sub>2</sub> or H<sup>+</sup> by metal carbonyl clusters

251st National Meeting (2016)

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Mechanistic details and thermodynamic insights for electrocatalytic reduction of CO2 or H+ by metal carbonyl clusters

Mechanistic details and thermodynamic insights for electrocatalytic reduction of CO₂ or H⁺ by metal carbonyl clusters