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Research

  • Studies of surface chemistry in semiconductor quantum dots Studies of surface chemistry in semiconductor quantum dots In many respects, colloidal QDs are near-ideal materials for solar energy conversion and lighting technologies. Read more ...
  • Non-adiabatic time-domain DFT approach Non-adiabatic time-domain DFT approach Dr. Kilina's group also utilized NA time-domain DFT approach, to study decoherence in nanosystems. Their NA method treats phonons semi-classically, which allows them to explicitly incorporate quantum decoherence effects within the electronic subsystem. Read more ...
  • Rational design of metal-organic complexes with enhanced nonlinear optical properties: Joined computational-experimental studies Rational design of metal-organic complexes with enhanced nonlinear optical properties: Joined computational-experimental studies Dr. Kilina's group closely works with Prof. W. Sun from NDSU on studying nonlinear optical properties of Ir(III) and Pt(II) complexes, with the goal to establish the relationship between photophysics and molecular structure and ... Read more ...
  •  Morphology and optical response of carbon nanotubes functionalized by conjugated and bio Polymers Morphology and optical response of carbon nanotubes functionalized by conjugated and bio Polymers Dispersion and chirality selectivity in carbon nanotubes (CNTs) via chemical functionalization has been of tremendous interest and extensive investigations for last decade to achieve the full potentials of CNTs. Read more ...
  • DNA nucleotide selectivity in interactions with CNTs of different chiralities DNA nucleotide selectivity in interactions with CNTs of different chiralities Dr. Kilina's group was able to explain the mechanism of DNA nucleotide selectivity in interactions with CNTs of different chiralities. Read more ...
  • Role of inter- versus intra-molecular disorder on the formation of deep electronic trap states in amorphous conducting polymers Role of inter- versus intra-molecular disorder on the formation of deep electronic trap states in amorphous conducting polymers Dr. Kilina's group also studied excitonic and vibronic effects, e.g., exciton-phonon couplings, in pristine CNTs. Read more ...