Experimental and Theoretical Insights into Single Atoms, Dual Atoms, and Sub-Nanocluster Catalysts for Electrochemical CO Reduction (CORR) to High-Value Products.

Electrocatalytic carbon dioxide (CO) conversion into valuable chemicals paves the way for the realization of carbon recycling. Downsizing catalysts to single-atom catalysts (SACs), dual-atom catalysts (DACs), and sub-nanocluster catalysts (SNCCs) has generated highly active and selective CO transformation into highly reduced products. This is due to the introduction of numerous active sites, highly unsaturated coordination environments, efficient atom utilization, and confinement effect compared to their nanoparticle counterparts.

Insights into Electrochemical CO Reduction on SnS : Main Product Switch from Hydrogen to Formate by Pulsed Potential Electrolysis.

Tin disulfide (SnS ) is a promising candidate for electrosynthesis of CO -to-formate while the low activity and selectivity remain a great challenge. Herein, we report the potentiostatic and pulsed potential CO RR performance of SnS nanosheets (NSs) with tunable S-vacancy and exposure of Sn-atoms or S-atoms prepared controllably by calcination of SnS at different temperatures under the H /Ar atmosphere. The catalytic activity of S-vacancy SnS (V -SnS ) is improved 1.

Pt nanoparticles under oxidizing conditions - implications of particle size, adsorption sites and oxygen coverage on stability.

Platinum nanoparticles are efficient catalysts for different reactions, such as oxidation of carbon and nitrogen monoxides. Adsorption and interaction of oxygen with the nanoparticle surface, taking place under reaction conditions, determine not only the catalytic efficiency but also the stability of the nanoparticles against oxidation. In this study, platinum nanoparticles in oxygen environment are investigated by systematic screening of initial nanoparticle-oxygen configurations and employing density functional theory and a thermodynamics-based approach.

Structures of Small Platinum Cluster Anions Pt: Experiment and Theory.

The structures of platinum cluster anions - have been investigated by trapped ion electron diffraction. Structures were assigned by comparing experimental and simulated scattering functions using candidate structures obtained by density functional theory computations, including spin-orbit coupling. We find a structural evolution from planar structures (, ) and amorphous-like structures (-) to structures based on distorted tetrahedra (-).