P-M-BRC-55 Density Functional Modeling of the Interaction of Noble Metal Clusters with the Zeolite or Oxide Support

Monday, June 3, 2013
Ballroom C (Galt House Hotel)
Georgi Vayssilov, Petko Petkov and Hristiyan Aleksandrov, University of Sofia, Bulgaria.
The paper reports ab initio molecular dynamic simulation for rhodium, silver and gold clusters in zeolites and rhodium cluster on magnesia nanoparticle in order to clarify the dynamics of the process of proton transfer from the OH groups of the support to the metal cluster and to estimate its mobility

Extended Abstracts: