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Full-Text Articles in Physical Sciences and Mathematics
Hierarchically Structured Photoelectrodes Via Atomic Layer Deposition, Justin Rowan Reed Demoulpied
Hierarchically Structured Photoelectrodes Via Atomic Layer Deposition, Justin Rowan Reed Demoulpied
Graduate Theses and Dissertations
In the search for a sustainable method to meet increasing energy needs, solar energy emerges as an underutilized, plentiful resource. Solar intermittency and requirements for transportation necessitate storing solar energy in the form of chemical bonds via artificial photosynthesis. Photoelectrochemical (PEC) water splitting generates hydrogen fuel from solar energy and water. A semiconducting material that successfully meets the complex requirements for building an industrially scalable PEC device has yet to emerge. This is leading to a reevaluation of materials previously overlooked within PEC research, mainly materials with limitations such as minimal charge carrier mobility and propensity to corrosion under illumination …
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 …
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 …
Kinetic Monte Carlo Investigations Involving Atomic Layer Deposition Of Metal-Oxide Thinfilms, David Tyler Magness
Kinetic Monte Carlo Investigations Involving Atomic Layer Deposition Of Metal-Oxide Thinfilms, David Tyler Magness
MSU Graduate Theses
Atomic Layer Deposition is a method of manufacturing thin film materials. Metal-oxides such as zinc-oxide and aluminum-oxide are particularly interesting candidates for use in microelectronic devices such as tunnel junction barriers, transistors, Schottky diodes, and more. By adopting a 3D Kinetic Monte Carlo model capable of simulating ZnO deposition, the effect of parameters including deposition temperature, chamber pressure, and composition of the initial substrate at the beginning of deposition can be investigated. This code generates two random numbers: One is used to select a chemical reaction to occur from a list of all possible reactions and the second is used …
Synthesis And Characterization Of The 2-Dimensional Transition Metal Dichalcogenides, Robert Browning
Synthesis And Characterization Of The 2-Dimensional Transition Metal Dichalcogenides, Robert Browning
Dissertations and Theses
In the last 50 years, the semiconductor industry has been scaling the silicon transistor to achieve faster devices, lower power consumption, and improve device performance. Transistor gate dimensions have become so small that short channel effects and gate leakage have become a significant problem. To address these issues, performance enhancement techniques such as strained silicon are used to improve mobility, while new high-k gate dielectric materials replace silicon oxide to reduce gate leakage. At some point the fundamental limit of silicon will be reached and the semiconductor industry will need to find an alternate solution. The advent of graphene led …
Effects Of Metallic, Semiconducting, And Insulating Substrates On The Coupling Involving Radiative Polaritons In Thin Oxide Films, Anita J. Vincent-Johnson, Kyle A. Vasquez, Giovanna Scarel, James S. Hammonds Jr., Mathieu Francoeur
Effects Of Metallic, Semiconducting, And Insulating Substrates On The Coupling Involving Radiative Polaritons In Thin Oxide Films, Anita J. Vincent-Johnson, Kyle A. Vasquez, Giovanna Scarel, James S. Hammonds Jr., Mathieu Francoeur
Department of Physics and Astronomy - Faculty Scholarship
Through simulations, this work explores the effects of conducting, semiconducting, and insulating substrates on the absorption of infrared radiation by radiative polaritons in oxide layers with thicknesses that range from 30 nm to 9 μm. Using atomic layer deposition, oxide layers can be formed in the nanometer scale. Our results suggest that the chemistry and conductivity of the substrate determine the amount of absorption by radiative polaritons in oxide layers thinner than the skin depth. The effects of the chemistry and conductivity of the substrate are especially effective for oxide films thinner than about 250 nm, which we label as …