Theoretical and computational study of thermal and electric transport processes in nanostructured systems

Abstract

This thesis concerns itself with the theoretical and computational study of the thermal and electric conduction properties of two kinds of nanostructured systems: semiconductor nanostructures and ionic liquids. In particular, chapters are devoted to the thermal conductivity of InP, InAs and GaAs nanowires, calculated through molecular dynamic methods, to the study of the thermal conductivity of Si nanowires with rough surfaces using Green's functions, to the thermoelectric properties of hybrid organic-inorganic superlattices, to the electric and thermal conductivities of ionic liquids and their mixtures with a solvent, and to the nanostructure of such mixtures. Results are compared to experimental data whenever possible.