Highly efficient binary copper-iron catalyst for photoelectrochemical carbon dioxide reduction toward methane.
basic_science · Level V
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- Record sourced from PubMed, PMID 31900367.
- Also identified by DOI 10.1073/pnas.1911159117 and PMC identifier 6983406.
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Abstract
A rational design of an electrocatalyst presents a promising avenue for solar fuels synthesis from carbon dioxide (CO<sub>2</sub>) fixation but is extremely challenging. Herein, we use density functional theory calculations to study an inexpensive binary copper-iron catalyst for photoelectrochemical CO<sub>2</sub> reduction toward methane. The calculations of reaction energetics suggest that Cu and Fe in the binary system can work in synergy to significantly deform the linear configuration of CO<sub>2</sub> and reduce the high energy barrier by stabilizing the reaction intermediates, thus spontaneously favoring CO<sub>2</sub> activation and conversion for methane synthesis. Experimentally, the designed CuFe catalyst exhibits a high current density of -38.3 mA⋅cm<sup>-2</sup> using industry-ready silicon photoelectrodes with an impressive methane Faradaic efficiency of up to 51%, leading to a distinct turnover frequency of 2,176 h<sup>-1</sup> under air mass 1.5 global (AM 1.5G) one-sun illumination.