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Chemistry

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Theses/Dissertations

2015

Physical Chemistry

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Work Function Modification Of Metal Electrodes Via Printing Of Pedot:Pss And Carbon Nanotubes, Carly A. Jordan Jan 2015

Work Function Modification Of Metal Electrodes Via Printing Of Pedot:Pss And Carbon Nanotubes, Carly A. Jordan

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Work function tunability of metal electrodes provides a route to improving performance of organic electronic devices. Using an electrode with a different work function changes the potential barrier at the polymer/electrode interface, leading to altered device characteristics, such as turn-on voltage in light emitting diodes or series resistance photodiodes. In this work, we explore work function modification by employing solution-based conducting materials, poly(3,4-ethylenedioxythiophene) : poly(styrene sulfonate) (PEDOT:PSS) and carbon nanotubes (CNTs), printed as overcoatings on oxidized Ni. The capability of direct write technologies, namely inkjet and aerosol jet printing, to control thin film thickness is investigated. The correlation between film …


Computational Estimation Of The Pka's Of Purines And Related Compounds, Kara L. Geremia Jan 2015

Computational Estimation Of The Pka's Of Purines And Related Compounds, Kara L. Geremia

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The acid dissociation value pKa of a compound provides important information regarding the neutral and ionic forms of the compound present under different conditions. However, for many compounds experimental pKa values are not available, and for others the measured values are sometimes uncertain. Consequently, having a computational means for estimating pKa values can be of benefit for biochemical, pharmaceutical, polymer, and many other studies. Purines form a key group of bioactive compounds whose acid/base activities are of considerable interest. The purine class includes such diverse compounds as the nucleic acid bases adenine and guanine, the gout-related compound uric acid, the …