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Synthesis of Small Silicon Carbide Nanocrystals in Low Pressure Nonthermal Plasma
(North Dakota State University, 2021)
Nanoparticles have attracted much attention because of their unusual physical properties. This work represents original, incipient research into small crystalline silicon carbide nanoparticles synthesized in a low-pressure ...
Free Energy Minimization and Multicomponent, Multi-Phase Lattice Boltzmann Simulations of Van Der Waals Fluid Mixtures
(North Dakota State University, 2018)
In this thesis, we develop a general framework for the lattice Boltzmann method to simulate multiphase systems with an arbitrary number of components. Theoretical expectations are easily visualized for binary mixtures, so ...
Hot Electron Effect in Ultrathin Photovoltaic Junctions
(North Dakota State University, 2012)
The focus of the research work described in the following thesis is increasing the efficiency of photovoltaic devices by reducing hot carrier thermalization losses. In principle this can be achieved by reducing the size ...
Guiding Self-Assembly of Functionalized Nanoparticles by Computational Modeling of Effective Interactions
(North Dakota State University, 2018)
Nanoparticles have attracted much attention because of their unusual physical properties, which allow them to be used in many practical applications. The self-assembly of nanocrystals into crystalline arrays can be facilitated ...
Inspection of Excited State Properties in Defected Carbon Nanotubes from Multiple Exciton Generation to Defect-Defect Interactions
(North Dakota State University, 2020)
Covalent SP3-hybridization defects in single-walled carbon nanotubes (CNTs) have been prevalent in recent experimental and theoretical studies for their interesting photophysical properties. These systems are able to act ...
Computational Modeling of Polymer Crowding: Influence of Solvent Quality and Dimensionality on Conformations
(North Dakota State University, 2018)
The structure and function of polymers in confined environments, e.g., biopolymers in the cytoplasm, are affected by macromolecular crowding. To explore the influence of solvent quality and dimensionality on conformations ...
A Density Functional Theory and Many Body Perturbation Theory Based Study of Photo-Excited Charge Separation in Doped Silicon Nanowires with Gold Leads: Toy Models for the Photovoltaic Effect
(North Dakota State University, 2020)
We analyze a toy model for p-n junction photovoltaic devices by simulating photoexcited state dynamics in silicon nanowires. One nanowire is approximately circular in cross section with a diameter of d = 1.17 nm. The other ...
A Novel Macroscopic Technique to Measure the Nanomechanics of Durable Multifunctional Nanosheets
(North Dakota State University, 2017)
In the recent advancement of nanotechnology, carbon nanotubes (CNTs) have shown promise and potential for a wide variety of applications due to their excellent mechanical, electrical, and optical properties. A network of ...
Excited State Dynamics in 1D Thermoelectric Materials
(North Dakota State University, 2020)
Here, nonadiabatic computations are used to study the thermoelectric effect and evaluate electron relaxation rates in lead telluride nanowires. κ_e = 1/τ_el is defined as the electron relaxation rate. It is directly ...
Single-Wall Carbon Nanotube Thin Films: Processing Measurement and Methodology
(North Dakota State University, 2016)
As society advances to desire smaller, faster, and cheaper electronics along with
stronger materials, the search for novel materials continues. Thin films made from single
wall carbon nanotubes (SWCNTs) offer a possible ...