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Filtering by: Creator Barra-Carrasco, Jonathan Academic Affiliation Physics Subject Density functionals

First principles studies of optical, electronic and mechanical properties of organic molecules and solids

Creator:

Barras, Faye Lyn

Abstract:

This thesis presents the results of quantum-mechanical first principles calculations of optical, electronic and mechanical properties of organic molecules and solids, which have diverse potential applications such as photovoltaics, flexible electronics, and mechanical catalysts with applications in force sensors and self-healing materials. The electronic and optoelectronic properties of organic thin...

Resource Type:

Dissertation