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Review Of Current Reactive Force Field Potentials For Use In Simulating The Atomic Layer Deposition Of Alumina On Aluminum, Devon T. Romine
Review Of Current Reactive Force Field Potentials For Use In Simulating The Atomic Layer Deposition Of Alumina On Aluminum, Devon T. Romine
MSU Graduate Theses
Alumina has recently garnered quite a bit of attention for use as a tunnel barrier in Josephson tunnel junctions. The quality of the metal oxide layer in the Josephson tunnel junction is a key factor in its effectiveness. To optimize the deposition method of alumina, we need a deep understanding of the large-scale surface interactions that cannot be reached using ab initio molecular dynamics. In this study, I have compared two existing reactive force field (ReaxFF) parameters to determine their abilities to model the atomic layer deposition (ALD) of alumina on an aluminum surface. ReaxFF molecular dynamics was chosen because …
Characterization Of Nanoparticles Using Inductively-Coupled Plasma Mass Spectrometry, Jabez D. Campbell
Characterization Of Nanoparticles Using Inductively-Coupled Plasma Mass Spectrometry, Jabez D. Campbell
MSU Graduate Theses
Nanomaterials are a relatively new class of materials that have many applications which span a wide host of fields from medical products to consumer products. The possible compositions and forms of nanomaterials are just as varied as the applications. Therefore, a versatile characterization method is needed for researchers and regulators alike to ensure nanomaterials are properly used. Single Particle Inductively Coupled Plasma Mass Spectrometry (SP-ICP-MS) is a functional method that could fill the characterization need in the nanomaterial research field. Using data from both SP-ICP-MS tests and data from literature established characterization methods, the viability of making SP-ICP-MS the standard …
Applications Of A Combined Approach Of Kinetic Monte Carlo Simulations And Machine Learning To Model Atomic Layer Deposition (Ald) Of Metal Oxides, Emily Justus
MSU Graduate Theses
Metal-oxides such as ZnO or Al2O3 synthesized through Atomic Layer Deposition (ALD) have been of great research interest as the candidate materials for ultra-thin tunnel barriers. In this study, I have applied a 3D on-lattice Kinetic Monte Carlo (kMC) code developed by Timo Weckman’s group to simulate the growth mechanisms of the tunnel barrier layer and to evaluate the role of various experimentally relevant factors in the ALD processes. I have systematically studied the effect of parameters such as the chamber pressure temperature, pulse, and purge times. The database generated from the kMC simulations was subsequently used …
Structural, Electrical And Optical Properties Of Copper Oxide Phase Mixture: An Active Layer Of Solar Cell, Rifat Ara Shams
Structural, Electrical And Optical Properties Of Copper Oxide Phase Mixture: An Active Layer Of Solar Cell, Rifat Ara Shams
MSU Graduate Theses
Both CuO and Cu2O have been well studied and implemented individually as an active layer of a solar cell from early age of manufacturing. A mixture of these two-phase contents at different ratios can bring variance in absorbance which can present new and diverse aspect in solar cell fabrication with added efficiency. Previous works were successful to vary the phase mixture, and the nanostructures provided very high absorption co-efficient but poor optical response on electrical conductivity. The goal of this research is to find out the optimum parameter for the phase mixture of copper oxide with high absorption coefficient as …
Study Of Electrical And Magnetic Properties Of Ni/Nio Nanocomposite Thin Film, Bishwajite Karmakar
Study Of Electrical And Magnetic Properties Of Ni/Nio Nanocomposite Thin Film, Bishwajite Karmakar
MSU Graduate Theses
In this thesis, detailed magnetic and electrical transport properties of composite thin films consisting of antiferromagnetic NiO, and ferromagnetic Ni have been studied. Highly oriented NiO thin films were grown on sapphire (0001) substrate using pulsed laser deposition with varying growth parameters such as oxygen pressure of the chamber and the substrate temperature. To obtain various percentage mixtures of Ni and NiO by means of introducing point defects (oxygen vacancies) into the NiO crystal structure, the as-grown films were annealed in forming gas (Ar:96% and H2:4%) at a fixed temperature of 600C and varying annealing time (0.5h to 6h). X-ray …