Phys. Chem. Chem. Phys., 2015, 17,28010-28021
DOI: 10.1039/C5CP00889A, Paper
DOI: 10.1039/C5CP00889A, Paper
Dennis Palagin, Jonathan P. K. Doye
Density functional theory based global geometry optimization has been used to demonstrate the crucial influence of the geometry of the catalytic cluster on the energy barriers for the CO oxidation reaction over Pd-based bimetallic nanoalloys.
The content of this RSS Feed (c) The Royal Society of Chemistry
Density functional theory based global geometry optimization has been used to demonstrate the crucial influence of the geometry of the catalytic cluster on the energy barriers for the CO oxidation reaction over Pd-based bimetallic nanoalloys.
The content of this RSS Feed (c) The Royal Society of Chemistry