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Welcome to the Computational Nanoscience Laboratory in the School of Mechanical and Materials Engineering. This group is led by Soumik Banerjee, who is an Associate Professor at WSU. CNL focuses on modeling materials relevant to energy conversion and storage. In particular, we perform atomistic, molecular and mesoscale simulations to investigate energy conversion, transport and storage mechanisms in a range of materials including carbon nanotubes, organic crystals, fullerenes, and conjugated polymers. CNL is particularly involved in modeling chemical kinetics at interfaces, thermal and charge transport phenomena and growth and agglomeration of nanomaterials.
Some of the ongoing projects are related to:
- Perovskite solar cells – Modeling the morphology of thin films and perovskite-acceptor interfaces
- Na-ion batteries – Modeling electrode- electrolyte interfaces
- Li batteries – Identification of novel electrolytes
- Sensors – Controlled deposition of carbon nanotubes on substrates
- Development of a multiscale model – Self-assembly of nanostructures in solvents