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Electrostatic Interactions at Dielectric Interfaces: From Colloids to Membranes
(North Dakota State University, 2017)
In this thesis we have investigated electrostatic interactions at dielectric interfaces using theoretical models based on the non-linear Poisson-Boltzmann theory and its extensions. We have focused on three major topics: ...
Multi-Scale Simulation Methods of Crosslinked Polymer Networks and Degradation
(North Dakota State University, 2018)
Crosslinked thermoset polymers are used heavily in industrial and consumer products, as well as in infrastructure. When used as a protective coating, a thermoset's net-like structure can act as a barrier to protect an ...
The Nature of Single-Wall Carbon Nanotube-Silicon Heterojunction Solar Cells
(North Dakota State University, 2015)
Since their inception in 2007, nanotube-silicon heterojunction solar cells have experienced rapid improvement due to the diligent work of several research groups. These devices have quickly reached a point where they might ...
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 ...
Genetic and Molecular Characterization of Genes Involved in Barley-Cochliobolus Sativus Interaction
(North Dakota State University, 2015)
Spot blotch caused by ascomycete fungus Cochliobolus sativus (Ito & Kurib.) Drechs. ex Dastur. [anamorph: Bipolaris sorokiniana (Sacc.) Shoem.] is one of the most common and economically important diseases on barley. To ...
Studies on the Biology of Soybean Cyst Nematode
(North Dakota State University, 2011)
Soybean cyst nematode (SCN), Heterodera glycines, is a threat to soybean production in North Dakota. Studies on the biology of SCN were conducted to improve my understanding and management of this plant parasitic nematode. ...