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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 ...
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 ...
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 ...