Cellulose and cellobiose: adventures of a wandering organic chemist in theoretical chemistry (open access)

Cellulose and cellobiose: adventures of a wandering organic chemist in theoretical chemistry

The energies arising from the rotation of free hydroxyl groups in the central glucose residue of a cellulose crystalline assembly, calculated using RHF, DFT, and FMO2/MP2 methods, will be presented. In addition, interactions of this central glucose residue with some of the surrounding residues (selected on the basis of the interaction strengths) are analyzed. The mechanism of acid-catalyzed hydrolysis of cellobiose, which is the repeating unit of cellulose. Energies corresponding to the different steps of this mechanism calculated using RHF and DFT are compared with those previously reported using molecular dynamics calculations and with experimental data.
Date: April 3, 2012
Creator: Baluyut, John
System: The UNT Digital Library
Increasing the efficiency of organic solar cells by photonic and electrostatic-field enhancements (open access)

Increasing the efficiency of organic solar cells by photonic and electrostatic-field enhancements

Organic photovoltaic (OPV) technology is an attractive solar-electric conversion paradigm due to the promise of low cost roll-to-roll production and amenability to flexible substrates. Power conversion efficiency (PCE) exceeding 7% has recently been achieved. OPV cells suffer from low charge carrier mobilities of polymers, leading to recombination losses, higher series resistances and lower fill-factors. Thus, it is imperative to develop fabrication methodologies that can enable efficient optical absorption in films thinner than optical absorption length. Active layers conformally deposited on light-trapping, microscale textured, grating-type surfaces is one possible approach to achieve this objective. In this study, 40% theoretical increase in photonic absorption over flat OPVs is shown for devices with textured geometry by the simulation results. For verifying this theoretical result and improving the efficiency of OPVs by light trapping, OPVs were fabricated on grating-type textured substrates possessing t pitch and -coat PV active-layer on these textured substrates led to over filling of the valleys and shunts at the crest, which severely affected the performance of the resultant PV devices. Thus, it is established that although the optical design is important for OPV performance but the potential of light trapping can only be effectively tapped if the textures are amenable …
Date: November 3, 2012
Creator: Nalwa, Kanwar
System: The UNT Digital Library
A measurement of the 2 neutrino double beta decay rate of Te-130 in the CUORICINO experiment (open access)

A measurement of the 2 neutrino double beta decay rate of Te-130 in the CUORICINO experiment

CUORICINO was a cryogenic bolometer experiment designed to search for neutrinoless double beta decay and other rare processes, including double beta decay with two neutrinos (2{nu}{beta}{beta}). The experiment was located at Laboratori Nazionali del Gran Sasso and ran for a period of about 5 years, from 2003 to 2008. The detector consisted of an array of 62 TeO{sub 2} crystals arranged in a tower and operated at a temperature of #24;10 mK. Events depositing energy in the detectors, such as radioactive decays or impinging particles, produced thermal pulses in the crystals which were read out using sensitive thermistors. The experiment included 4 enriched crystals, 2 enriched with {sup 130}Te and 2 with {sup 128}Te, in order to aid in the measurement of the 2{nu}{beta}{beta} rate. The enriched crystals contained a total of #24;350 g {sup 130}Te. The 128-enriched (130-depleted) crystals were used as background monitors, so that the shared backgrounds could be subtracted from the energy spectrum of the 130- enriched crystals. Residual backgrounds in the subtracted spectrum were fit using spectra generated by Monte-Carlo simulations of natural radioactive contaminants located in and on the crystals. The 2{nu}{beta}{beta} half-life was measured to be T{sup 2{nu}}{sub 1/2} = [9.81{+-} #6;0.96(stat){+-} 0.49(syst)]#2;x10{sup …
Date: November 3, 2011
Creator: Kogler, Laura
System: The UNT Digital Library
Criticisms of Patriarchy in Women's Captivity Narratives: A Close Look at Mary Rowlandson's The Sovereignty and Goodness of God (1862) and Sarah Wakefield's Six Weeks in the Sioux Tepees: A Narrative of Indian Captivity (1862) (open access)

Criticisms of Patriarchy in Women's Captivity Narratives: A Close Look at Mary Rowlandson's The Sovereignty and Goodness of God (1862) and Sarah Wakefield's Six Weeks in the Sioux Tepees: A Narrative of Indian Captivity (1862)

Undergraduate thesis exploring criticisms of patriarchy in women's captivity narratives by examining Mary Rowlandson's The Sovereignty and Goodness of God (1862) and Sarah Wakefield's Six Weeks in the Sioux Tepees: A Narrative of Indian Captivity (1862). Both used their socially acceptable roles in order to assert their own ideas regarding the patriarchy. The author concludes that both narratives therefore assert that patriarchal societies did not necessarily produce justice for English or American women who were a part of these societies, or for the Dakota Indians who lived in close contact with a patriarchal society.
Date: May 3, 2013
Creator: Hansard, Chelsea
System: The UNT Digital Library
My Spent Life's Breath: A Psychoanalytic Study of Don Carlo Gesualdo (open access)

My Spent Life's Breath: A Psychoanalytic Study of Don Carlo Gesualdo

Undergraduate thesis psychoanalyzing the composer Don Carlo Gesualdo. It focuses on the relationship between the composer and mastery of the musical task. The author examines the life and work of Don Carlo Gesualdo, Prince of Venosa, who was commonly referred to as both musician and murderer.
Date: December 3, 2012
Creator: Coronado, Sam
System: The UNT Digital Library