The objectives of this research was to develop the chemistry for the synthesis of a new class of pentacene and tetracene containing polymers and oligomers. These materials were designed to have low bandgap and high charge carrier mobility. The general synthetic routes were developed for this class of materials. The synthesized new molecules and polymers were used for structural property relation studies to understand the effect of molecular structure on ...
The external chemical reactivity of graphene sheet, fullerenes and carbon nanotubes has been investigated. The total reaction energy is analyzed with several contributing terms and formulated as a function of the pyramidal angles of C atoms. We have determined the parameters for the formulae from ab initio simulation of graphene. We have applied them to predict hydrogenation energy of several nanotubes and C(60), and demonstrated that the predicted total reaction ...
Two different models for solid-state quantum bits have been investigated. Both are based on the nuclear spin of doped atoms in endo-fullerenes or bucky-onions. (1)H or (31)P have been tested as suitable dopant atoms because they have half nuclear spins. The thermal stability and electronic properties of the dopant atoms and the encapsulating cages have been examined with ab-initio pseudo potential density functional methods, and the results show that both ...
Second-order nonlinear models have been increasingly used in recent years to model nonlinear processes in offshore engineering. We apply such models to study the global responses of a spar floating platform. Traditional linear models of wave loads on offshore structures tend to be inaccurate in the response predictions. Second-order nonlinear models although computationally more expensive provide an opportunity to better predict these loads. Recent tests conducted on a spar floating ...
Many polymeric glasses must be orientationally ordered for the materials to exhibit useful characteristics. The objective of this work was to understand the dynamics of the orientation and relaxation processes and to relate these behaviors to the structural characteristics of the polymeric material. In this study we considered materials suitable for nonlinear optical applications. In particular, thin polymer films, either doped with nonlinear optical chromophores or films with the chromophores ...
Excimer fluorescence is used to study conformational statistics and aggregation in miscible and immiscible blends of polystyrene with poly(vinyl methyl ether). At low polystyrene concentration in miscible blends, excimer fluorescence of isolated polystyrene chains is analyzed in terms of a one- dimensional random walk of the migrating singlet exciton. At high concentration in miscible blends the energy migration is three-dimensional. Knowledge of the fluorescence behavior for miscible blends is used ...
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