Nanoscience and Nanotechnology Commons^™

Insights Into The Epitaxial Relationships Between One-Dimensional Nanomaterials And Metal Catalyst Surfaces Using Density Functional Theory Calculations, Debosruti Dutta

USF Tampa Graduate Theses and Dissertations

This dissertation involves the study of epitaxial behavior of one-dimensional nanomaterials like single-walled carbon nanotubes and Indium Arsenide nanowires grown on metallic catalyst surfaces. It has been previously observed in our novel microplasma based CVD growth of SWCNTs on Ni-Fe bimetallic nanoparticles that changes in the metal catalyst composition was accompanied by variations in the average metal-metal bond lengths of the nanoparticle and that in turn, affected nanotube chirality distributions. In this dissertation, we have developed a very simplistic model of the metal catalyst in order to explain the nanotube growth of specific nanotube chiralities on various Ni-Fe catalyst surfaces. …