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Full-Text Articles in Chemistry

Investigating The Role Of Topological Frustration On Morphology Of Novel Multiblock Copolymers, Rohit Gupta Nov 2018

Investigating The Role Of Topological Frustration On Morphology Of Novel Multiblock Copolymers, Rohit Gupta

Doctoral Dissertations

Multiblock copolymers have gained considerable attention due to their ability to offer immense potential for designing soft materials with complex architectures for diverse applications. The enlarged parameter space offered by these multiblock copolymers gives access to a wide variety of multiply continuous morphologies which can be used to produce highly ordered nanostructures. The investigation on multiblock copolymers has been subjected to two critical limitations: (i) A suitable synthetic strategy for accessing these structures and (ii) computational tools which can help in application driven design of these molecules. In this dissertation, the goal was to develop methodologies for the synthesis of …


Impact Of Chemical Doping On The Thermoelectric Charge Transport Of Organic Semiconductors, Connor J. Boyle Nov 2018

Impact Of Chemical Doping On The Thermoelectric Charge Transport Of Organic Semiconductors, Connor J. Boyle

Doctoral Dissertations

The thermoelectric properties of organic semiconductors allow them to directly convert heat into electricity without the use of moving parts and to directly convert electricity into heat without the use of working fluids. These properties offer opportunities for the generation of electricity from non-conventional or renewable sources of heat and for refrigeration without the risk of leaking harmful working fluids at any length scale down to the nanoscale. Since organic materials are lightweight, flexible, and made from abundant resources, these opportunities could one day become affordable for widespread use and could be expanded to include specialized and otherwise difficult to …


The Dissociative Chemisorption Of Methane And Its Isotopologues On Metal Surfaces, Han Guo Oct 2018

The Dissociative Chemisorption Of Methane And Its Isotopologues On Metal Surfaces, Han Guo

Doctoral Dissertations

The dissociative chemisorption of small molecules on metal surfaces is an important step in many heterogeneous catalytic processes, and has received considerable scientific attention. In this thesis, a quantum approach based on the reaction path Hamiltonian is used to explore the dissociative chemisorption of methane and its deuterated isotopologues on several metal surfaces. The theoretical approach is described in Chapter 2. This approach treats all 15 degrees of freedom of the methane molecule, and includes the effects of lattice motion, allowing us to examine the translational and vibrational enhancements, mode- and bond-selectivity and the surface temperature dependence observed in experiments. …


Surface Functionalization Of Fabrics And Threads For Smart Textiles, Morgan Baima Oct 2018

Surface Functionalization Of Fabrics And Threads For Smart Textiles, Morgan Baima

Doctoral Dissertations

The future of electronics is moving toward wearable devices and therefore requires a shift away from hard, inflexible materials towards fibers, threads, and fabrics that conform to the shape of the body. Therefore new methods for incorporating textiles as electronic components are needed to replace conventional processing techniques used with smooth, flat substrates like glass, silicon, and many polymers. Toward this end, this work investigates different methods that can be used to tune textile surfaces for electronic functionality, including weaving, solution grafting, and initiated chemical vapor deposition (iCVD). While all of these methods were used to make triboelectrically-active textiles, iCVD …


Design And Synthesis Of Stimuli-Responsive Polymeric Nanogels Towards Therapeutic Translation, Mallory R. Gordon Mar 2018

Design And Synthesis Of Stimuli-Responsive Polymeric Nanogels Towards Therapeutic Translation, Mallory R. Gordon

Doctoral Dissertations

In the application of delivery of therapeutics, nanostructures of various composition have been employed due to their capacity to act as a host for lipophilic payloads. Advances in the synthetic preparation, size, morphology, and chemical or physical characteristics of polymers have impacted their development and versatility. A detailed understanding of polymeric nanoparticle host-guest properties is crucial to their practical translation to specific delivery applications. Further, these features must be highly tailorable to overcome biological barriers, stably encapsulate their therapeutic contexts, and exhibit payload release selectively in the target environment. In this dissertation, we aim to rationally design polymeric nano-scale assemblies …


Light-Harvesting And Light-Responsive Materials For Optoelectronic And Biological Applications, Youngju Bae Mar 2018

Light-Harvesting And Light-Responsive Materials For Optoelectronic And Biological Applications, Youngju Bae

Doctoral Dissertations

In photodynamic therapy, several critical standards are required of photosensitizers including high singlet oxygen quantum yield, biocompatibility in dark, and long term photochemical stability. In addition, current PDT systems lack active targeting strategies to tumor cells, and instead mainly rely on the natural distribution of PS in the body following injection and application of near-infrared light treatment in the tumor region. This thesis describes a series of BODIPY-based molecules that were designed, synthesized and studied as photosensitizers with high singlet oxygen generation capacity through utilizing the heavy atom effect. Additionally, aqueous solubility and active targeting capability were introduced by photosensitizer …