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A Combined Density Functional Theory and Microkinetics Simulation Study of Electrochemical CO2 Reduction on Ceria-Supported Bismuth
1. Introduction Click to copy section linkSection link copied! The extensive use of fossil fuels has led to the release of large amounts of carbon dioxide (CO2), a strong contributor to climate change, into the atmosphere. (1−4) Closing the carbon cycle by reusing waste CO2 and CO2 captured from the air to manufacture chemicals and fuels using renewable energy can replace fossil resources.
Transferable, Living Data Sets for Predicting Global Minimum Energy Nanocluster Geometries
1. Introduction Click to copy section linkSection link copied! Conventional heterogeneous catalysts are composed of an active metal deposited on a support material. The metal is deposited in the form of nanoclusters or nanoparticles: atomic aggregates ranging in size from tens to thousands of atoms. The size and shape of the particles determine the availability and chemical nature of the active sites where reagents bind.
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