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Full-Text Articles in Nanoscience and Nanotechnology
Quasi-Particle Band Structure And Excitonic Effects In One-Dimensional Atomic Chains, Eesha Sanjay Andharia
Quasi-Particle Band Structure And Excitonic Effects In One-Dimensional Atomic Chains, Eesha Sanjay Andharia
Graduate Theses and Dissertations
The high exciton binding energy in one dimensional (1D) nano-structures makes them prominent for optoelectronic device applications, making it relevant to theoretically investigate their electronic and optical properties. Many-body effects that are not captured by the conventional density functional theory (DFT) have a huge impact in such selenium and tellurium single helical atomic chains. This work goes one step beyond DFT to include the electron self-energy effects within the GW approximation to obtain a corrected quasi-particle electronic structure. Further, the Bethe-Salpeter equation was solved to obtain the absorption spectrum and to capture excitonic effects. Results were obtained using the Hyberstein-Louie …
Mesoscale Computational Studies Of Thin-Film Bijels, Joseph M. Carmack
Mesoscale Computational Studies Of Thin-Film Bijels, Joseph M. Carmack
Graduate Theses and Dissertations
Bijels are a relatively new class of soft materials that have many potential applications in the technology areas of energy, medicine, and environmental sustainability. They are formed by the arrest of binary liquid spinodal decomposition by a dispersion of solid colloidal nanoparticles. This dissertation presents an in-depth simulation study of Bijels constrained to thin-film geometries and in the presence of electric fields. We validate the computational model by comparing simulation results with previous computational modeling and experimental research. In the absence of suspended particles, we demonstrate that the model accurately captures the rich kinetics associated with diffusion-based surface-directed spinodal decomposition. …