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Articles 31 - 33 of 33
Full-Text Articles in Physical Sciences and Mathematics
X-Ray Absorption Fine Structure And X-Ray Excited Optical Luminescence Studies Of Gallium Nitride - Zinc Oxide Solid Solution Nanostructures, Matthew J. Ward
X-Ray Absorption Fine Structure And X-Ray Excited Optical Luminescence Studies Of Gallium Nitride - Zinc Oxide Solid Solution Nanostructures, Matthew J. Ward
Electronic Thesis and Dissertation Repository
Gallium nitride – zinc oxide (GaN-ZnO) solid solutions have been realized as potential photocatalysts for overall water splitting due to a narrowing of the band-gap into the visible region of the solar spectrum. Although there has been much experimental and theoretical work on this novel class of semiconductors many questions about the nature of their electronic and chemical properties remain unanswered. In particular the mechanism of band-gap reduction in these materials is not clearly understood. It is also unclear what the local chemical environment of gallium, zinc, nitrogen, and oxygen is in both the surface and bulk of these solid …
A Study Of Gamma Radiation Induced Carbon Steel Corrosion, Kevin Daub
A Study Of Gamma Radiation Induced Carbon Steel Corrosion, Kevin Daub
Electronic Thesis and Dissertation Repository
This thesis presents work on the development of a mechanistic understanding of the effect of ionizing radiation on the aqueous corrosion kinetics of carbon steel. Exposed to ionizing radiation, water decomposes into a range of oxidizing (O2, •OH, HO2•, H2O2) to reducing (•eaq–, •O2–, •H) species. The production of the redox active species by radiolysis can have a significant effect on the corrosion behaviour of a metal. Of particular interest is the effect of radiolysis on corrosion when the solution environment, such as temperature, pH, and …
Theory Of Model Kohn-Sham Potentials And Its Applications, Alex P. Gaiduk
Theory Of Model Kohn-Sham Potentials And Its Applications, Alex P. Gaiduk
Electronic Thesis and Dissertation Repository
The purpose of Kohn-Sham density functional theory is to develop increasingly accurate approximations to the exchange-correlation functional or to the corresponding potential. When one chooses to approximate the potential, the resulting model must be integrable, that is, a functional derivative of some density functional. Non-integrable potentials produce unphysical results such as energies that are not translationally or rotationally invariant. The thesis introduces methods for constructing integrable model potentials, developing properly invariant energy functionals from model potentials, and designing model potentials that yield accurate electronic excitation energies. Integrable potentials can be constructed using powerful analytic integrability conditions derived in this work. …