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Electronic structure study of platinum clusters


EMSL Project ID
9090

Abstract

Edo Apra has been invited as a visiting scientist within the Molecular Modeling Laboratory at the Institute for the Physical-Chemical Processes (IPCF) of the Italian National Research Council (CNR) to start collaborative work on platinum clusters.
New software developments needed for studying platinum nanoparticles will result in enhanced capabilities of the NWChem code (with obvious benefits for EMSL, PNNL, and other NWChem users).

Project Details

Project type
Exploratory Research
Start Date
2004-05-04
End Date
2006-11-02
Status
Closed

Team

Principal Investigator

Alessandro Fortunelli
Institution
CNR - Consiglio Nazionale delle Ricerche

Team Members

Edoardo Apra
Institution
Environmental Molecular Sciences Laboratory

Related Publications

Lebarbier VMC, D Mei, DH Kim, A Andersen, JL Male, JE Holladay, RJ Rousseau, and Y Wang. 2011. "Effects of La2O3 on the mixed higher alcohols synthesis from syngas over Co catalysts: A combined theoretical and experimental study." Journal of Physical Chemistry C 115(35):17440-17451. doi:10.1021/jp204003q