People

Dr. Mousumi Upadhyay-Kahaly

Postdoctoral Fellows

Research Interests

  • Graphene, CNTs and other carbon nanostructures.
  • Nanomaterials, biomaterials, photonic crystal, spintronic, multifunctional and other advanced materials, with particular focus on design of novel devices.
  • Organo-metallic interactions in long chain fatty acids in nanobiotechnology, protein engineering and related bio-molecules simulation.
  • Ab-initio design of new superconducting materials.
  • Thermoelectrics and advanced materials for alternative energy resources, such as rechargeable fuel cells, solar cells and batteries.
  • Transport and magnetoresistive properties of nano-systems.
  • Time-dependent DFT and excited state properties

Selected Publications

  1. "Band structure engineering and vacancy induced metallicity at the GaAs-AlAs interface"  M. Upadhyay Kahaly, S. Nazir, and U. Schwingenschleogl, Appl. Phys. Lett. 99, 123501 (2011).
  2. “Size-dependence of Thermal Properties of Arm-chair Carbon Nanotubes: A First- principles Study”, Mousumi Upadhyay Kahaly and Umesh V Waghmare, Appl. Phys.Lett. 91, 023112 (1-3) (2007). 
  3. “Vibrational Properties of Single Wall Carbon Nanotubes; A First Principles Study”, Mousumi Upadhyay Kahaly and Umesh V Waghmare, Journal of Nanoscience and Nanotechnology 7, 1787-1792 (2007).