Scientist D, Technical Research Center
Affiliated to School of Applied & Interdisciplinary Sciences
Email : cambd@iacs.res.in

Research Activities:

Research interests of our group includes theoretical/computational nanotechnology and design of nano-devices. We study electronic structure of molecules and nanostructures like quantum-dots, nanorods, nano-sheets using theoretical methods. We then model the electronic transport properties of molecules and clusters in a metal-molecule-metal based two-probe setup, to explore their potential in molecular device fabrication.  Electronic effects of molecular aggregation or encapsulation are also studied in the context of application based property exploration.  We theoretically model adsorption of molecules on metal surfaces and explore their fluxional motion on surfaces.
We are interested in nano-structures for water remediation & mineral formation, and our research in this area involves theoretical modelling of nanostructures relevant for decontamination of water from toxic ions like Arsenic. In this context, we propose the idea of ‘Artificial Mineralization’ and study the possible pathways for contaminant fixation. Ion adsorption, ion-recognition on specially designed nanostructures are also theoretically studied. Formation of specific minerals are modelled employing a `bottom-up' approach starting from respective nucleation clusters.