Engineering Commons^™

Electronic And Local Structures Of Pt-Based Bimetallic Alloy And Core-Shell Systems, Jiatang Chen

Electronic Thesis and Dissertation Repository

This thesis investigates the electronic structure of Pt for catalysis applications. The importance of the Pt 5d band is discussed in terms of the bonding capability of Pt. The oxygen reduction reaction in proton exchange membrane fuel cells is chosen as the catalytic reaction model to illustrate the effect of Pt 5d states on Pt-O interaction. Pt-based bimetallic systems are introduced as a solution for the high price and limited resources of Pt. Despite lower usage of Pt, the tuning capability to optimize the Pt 5d band in bimetallic catalysts is supposed to provide superior catalytic activity. Advanced synchrotron X-ray …

Pressure Driven Electronic Band Gap Engineering In Tin(Iv)-O,N Compounds, Daniel Thomas Sneed

UNLV Theses, Dissertations, Professional Papers, and Capstones

The intrinsic link between long-range order, coordination geometry, and the electronic properties of a system must be understood in order to tailor function-specific materials. Although material properties are typically tailored using chemical dopants, such methods can cause irreversible changes to the structure, limiting the range of functionality. The application of high pressure may provide an alternative “clean” method to tune the electronic properties of semiconducting materials by tailoring their defect density and structure.

We have explored a number of optoelectronic relevant materials with promising characteristics, specifically Sn-(O,N) compounds which have been predicted to undergo pressure-mediated opening of their optical band …

Zirconium Diboride, Hexagonal Boron Nitride, And Amorphous Alumina Thin Films For High Temperature Applications, David Murdock Stewart

Electronic Theses and Dissertations

The use of microelectronic sensors and actuators in harsh, high temperature environments, such as power plants, turbine engines, and industrial manufacturing, could greatly improve the safety, reliability, and energy efficiency of these processes. The primary challenge in implementing this technology is the breakdown and degradation of thin films used in fabricating these devices when exposed to high temperatures >800 °C and oxidizing atmospheres. Zirconium diboride, hexagonal boron nitride, and amorphous alumina are candidate materials for use as thin film sensor components due to their high melting temperatures and stable phases. Zirconium diboride thin films have metallic-like electrical conductivity and remain …

Atomic Level Study Of Water-Gas Shift Catalysts Via Transmission Electron Microscopy And X-Ray Spectroscopy, Mehmed Cem Akatay

Open Access Dissertations

Water-gas shift (WGS), CO + H₂ O [Special characters omitted.] CO₂ + H₂ (ΔH° = -41 kJ mol ^-1 ), is an industrially important reaction for the production of high purity hydrogen. Commercial Cu/ZnO/Al₂ O₃ catalystsare employed to accelerate this reaction, yet these catalysts suffer from certain drawbacks, including costly regeneration processes and sulfur poisoning. Extensive research is focused on developing new catalysts to replace the current technology. Supported noble metals stand out as promising candidates, yet comprise intricate nanostructures complicating the understanding of their working mechanism.

In this study, the structure of the supported …

Spectroscopic And Kinetic Characterization Of Catalytic Materials For The Conversion Of Biomass-Derived Compounds, Paul James Dietrich

Open Access Dissertations

As economies look to transition away from petroleum for social, economic, and political reasons, biomass will continue to attract attention as a renewable feedstock for the fuels and chemicals industry. In order to turn biomass into end use fuels and chemicals, the oxygen content must be lowered significantly, requiring large hydrogen inputs. For these processes to be completely renewable, the hydrogen must come from biomass or biomass-derived compounds. In this work, catalysts for the aqueous phase reforming (APR) of biomass-derived sugars were characterized by a combination of reaction kinetics, X-ray spectroscopy, electron microscopy, and theoretical computation to determine the active …

Atomic And Electronic Structure Studies Of Nano-Structured Systems : Carbon And Related Materials, Sumit Saxena

Dissertations

Modeling in the framework of density functional theory has been conducted on carbon nanotubes and graphene nano-structures. The results have been extended to non-carbon systems such as boron nanostructures. Computational studies are complemented by experimental methods to refine the structural models and obtain a better understanding of the electronic structure.

It is observed that the zigzag edged bilayered graphene nanoribbons are highly unstable as compared to their armchair counterparts. A novel approach has been proposed for the patterning of chirality/diameter controlled single walled carbon nanotubes. Nanotube formation is found to be assisted by edge ripples along with the intrinsic edge …