First Principles Investigations and Simulations for Catalytic Properties of Bimetallic and Metal/Oxide Surfaces

摘要

This report summarize our research accomplishments using funding by DOE grant (DE-FG03-99ER14948) for the period of January 15,1999 C 1/14, 2002. In the last three years, we have published 16 papers. My Postdoctoral Research Associates, my students and myself have presented our results at many conferences.