Computational Investigation of Quantum Size Effects in Gold Nanoparticles

Electron density perturbation from carbon monoxide adsorption on a multi-hundred atom gold nanoparticle. The perturbation causes significant quantum size effects in CO catalysis on gold particles.

Science: Jeff Greeley and Nick Romero, Argonne National Laboratory; Jesper Kleis, Karsten Jacobsen, Jens Nørskov, Technical University of Denmark

Visualization: Joseph Insley, Argonne National Laboratory

This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Dept. of Energy under contract DE-AC02-06CH11357.


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