Over the years, great deal of experimental and theoretical effort have been devoted to the problem of the heterogeneous catalysis, catalytic activity of various noble metals and the role of the underlying catalyst supports, metal oxides in particular. Wealth of conceptual advances has been made. Here we propose to take full advantage of recent progress in this technologically important field and explore innovative approaches in designing catalyst support by modifying its properties through the composition changes of oxides or looking at alternative support materials and exploring the property changes and features accessible only at nano scale. To address these properties, one has to invoke accurate description of physical interactions at different length scales: short range electron interactions and long range elastic interaction due to interplay between surface tension and bulk forces in finite nano particles. The prototype model system is motivated by
experimental community findings and our calculation combining a different length scale are expected to advance our fundamental understanding of the key issues governing the formation and integrity of metal nanostructures, their interaction with oxide support surfaces and effect on the kinetics of chemical reactions.
|Source||Hours||Start Date||End Date|
|OLCF DIRECTOR'S DISCRETIONARY - INDUSTRY||7,979||2011-01-01||2011-07-01|
|OLCF DIRECTOR'S DISCRETIONARY - INDUSTRY||100,000||2010-01-01||2010-12-31|
|OLCF DIRECTOR'S DISCRETIONARY - INDUSTRY||100,000||2009-12-02||2009-12-31|
|OLCF DIRECTOR'S DISCRETIONARY PROGRAM||100,000||2009-01-01||2009-12-02|
|OLCF DIRECTOR'S DISCRETIONARY PROGRAM||100,000||2008-10-28||2008-12-31|