Physics

Electrode

Organic chemistry

Personality

Big Five personality traits

Mathematics

Composite number

Reduction (mathematics)

Density functional theory

Catalysis

Carbon fibers

Computational chemistry

Physical chemistry

Psychology

Composite material

Product distribution

Nuclear physics

Chemistry

Materials science

Geometry

Facet (psychology)

Electrochemistry

Social psychology

Binding energy

ACS Catalysis

For CO2 reduction reactions, the Cu catalyst is unique, as compared with other metals, because of its ability to produce a wide range of hydrocarbon and oxygenated products. Previously, we have shown that Cu has the unique property of binding CO* without having H* UPD (underpotential deposited). However, the product distribution from Cu depends highly on the exact nature of the Cu surface. In this work, we investigate a series of Cu facets to understand how they affect the product distribution. Some carbon–carbon (CC)-coupled products are statistically shown to highly correlate, while other CC products correlate with C1 products. We avoid studying the complex reaction network of the CO2 reduction reaction and focus instead on descriptors for the Cu facet product distribution. The coordination number distribution and the binding energies of the intermediates calculated by density functional theory are investigated as descriptors. The binding energies are close for the Cu facets, and the variation shows that two noncorrelating (orthogonal) binding energies contain up to 70% of the information from the binding energies. Further, structural analysis allows us to uniquely identify the (100)×(110) step sites as specific ethanol-producing sites from the CO2 reduction reaction

Electrochemical CO<sub>2</sub> Reduction: Classifying Cu Facets

Electrochemical CO2 Reduction: Classifying Cu Facets

Electrochemical CO₂ Reduction: Classifying Cu Facets