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Full-Text Articles in Nanoscience and Nanotechnology

Modelling Palladium Decorated Graphene Using Density Functional Theory To Analyze Hydrogen Sensing Application, Sameer Kulkarni May 2019

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 …


Surface Area And Electrocatalytic Properties Of Feni Nanoparticles For The Oxygen Evolution Reaction (Oer), James Burrow May 2018

Surface Area And Electrocatalytic Properties Of Feni Nanoparticles For The Oxygen Evolution Reaction (Oer), James Burrow

Chemical Engineering Undergraduate Honors Theses

Iron-nickel bimetallic electrocatalysts have recently emerged as some of the best candidates for the oxygen evolution reaction (OER) in alkaline electrolyte. Understanding the effects of composition and morphology of iron-nickel nanoparticles is crucial for optimization and enhanced electrocatalyst performance. Both physical surface area and electrochemical surface area (ECSA) are functions of morphology. In this study, four different iron-nickel nanoparticle catalysts were synthesized. The catalysts were varied based on morphology (alloy versus core-shell) and composition (low, medium, and high stabilizer concentration). Brunauer-Emmett-Teller (BET) surface area analysis was conducted on three of the synthesized iron-nickel nanoparticles using a physisorption analyzer while electrochemical …