Engineering Commons^™

Modelling Palladium Decorated Graphene Using Density Functional Theory To Analyze Hydrogen Sensing Application, Sameer Kulkarni

Mechanical Engineering Undergraduate Honors Theses

Graphene is an exciting new material with many promising applications. One such application of graphene is gas sensing, when adsorbed with transition metals, notably Palladium. Therefore, it is of paramount importance to have appropriate ab initio calculations to calculate the various properties of graphene under different adsorbates and gasses. The first step in these calculations is to have a functioning base Density Functional Theory (DFT) model of pristine graphene decorated with Palladium. The computational methods described in this paper has yielded results for pristine graphene that have been confirmed many times in previous experimental and theoretical studies. Future work needs …

Plasmonic Properties Of Nanoparticle And Two Dimensional Material Integrated Structure, Desalegn Tadesse Debu

Graduate Theses and Dissertations

Recently, various groups have demonstrated nano-scale engineering of nanostructures for optical to infrared wavelength plasmonic applications. Most fabrication technique processes, especially those using noble metals, requires an adhesion layer. Previously proposed theoretical work to support experimental measurement often neglect the effect of the adhesion layers. The first finding of this work focuses on the impact of the adhesion layer on nanoparticle plasmonic properties. Gold nanodisks with a titanium adhesion layer are investigated by calculating the scattering, absorption, and extinction cross-section with numerical simulations using a finite difference time domain (FDTD) method. I demonstrate that a gold nanodisk with an adhesive …

Scanning Probe Microscopy Measurements On 2d Materials And Iridates, Armin Ansary

Theses and Dissertations--Physics and Astronomy

In the past two decades, there has been a quest to understand and utilize novel materials such as iridates and two-dimensional (2D) materials. These classes of materials show a lot of interesting properties both in theoretical predictions as well as experimental results. Physical properties of some of these materials have been investigated using scanning probe measurements, along with other techniques.

One-dimensional (1D) catalytic etching was investigated in few-layer hexagonal boron nitride (hBN) films. Etching of hBN was shown to share several similarities with that of graphitic films. As in graphitic films, etch tracks in hBN commenced at film edges and …

Electron Transport In One And Two Dimensional Materials, Samuel William Lagasse

Legacy Theses & Dissertations (2009 - 2024)

This dissertation presents theoretical and experimental studies in carbon nanotubes (CNTs), graphene, and van der Waals heterostructures. The first half of the dissertation focuses on cutting edge tight-binding-based quantum transport models which are used to study proton irradiation-induced single-event effects in carbon nanotubes [1], total ionizing dose effects in graphene [2], quantum hall effect in graded graphene p-n junctions [3], and ballistic electron focusing in graphene p-n junctions [4]. In each study, tight-binding models are developed, with heavy emphasis on tying to experimental data. Once benchmarked against experiment, properties of each system which are difficult to access in the laboratory, …

Tetradymite Topological Insulators : Towards High Performance Broadband Photodetection, Asish Parbatani

Legacy Theses & Dissertations (2009 - 2024)

Topological insulators are characterized by the presence of a finite energy gap in the bulk state and a conducting metallic surface state consisting of odd number of Dirac cones. The conducting surface states are along the edge boundaries, free from disorders and are protected by time reversal symmetry. The presence of Dirac cone leads to universal optical absorption phenomenon like graphene. This phenomenon of universal optical absorption leads to frequency independent photoexcitation of carriers. Bi2Te3, Sb2Te3 and Bi2Se3 belong to tetradymite topological insulators (TTI) family and are often referred to as 3D layered materials. Theoretical predictions characterize TTIs by low …