Title-Charles Bauschlicher
Charlie's Homepage

The major focus of my current research is nanotechnology. One project involves computing the binding energies of atoms on the sidewalls of a carbon nanotube. For hydrogen we have determined the binding energy as a function ofcoverage. We use the ONIOM approach where part of the system treated using a high level ab initio approach and the rest of the system is treated using a lower level of theory. We are also investigating the idea of using atoms bonded to a surface to store data. Recently we began to study conducting molecules. We are beginning the study of metal-metal and metal-CO bonds as input into the effort modelling the growth of carbon nanotubes on small metal particles.

Link to Computational Nanotechnology Page
Link to Computational Nanotechnology Research Page
Link to Computational People Page
Link to Computational Publications Page
Photograph of Charles Bauschlicher
Email: cbauschlicher@mail.arc.nasa.gov
Phone: 650-604-6231
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