Characterization of Inorganic/Organic Interfaces by Ab Initio Methods

Self-assembled functional devices using hybrid inorganic/organic interfaces has been an area of recent interest in interdisciplinary science and engineering research. Chemical and biological systems using bottom-up approach hold promise to continue the scaling of nano devices. Our current research is focused on model studies involving chemical/biological self-assembly based on peptides/carbon nanotubes, DNA/carbon nanotubes, quantum dots/carbon nanotubes and assembly based on these interfaces. Some of our recent results using ab initio methods will be presented.