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Description:: Advancements in the understanding and synthesis of transition metal compounds have allowed materials engineers to design functional materials with a range of properties, such as ferroelectricity, non-linear optical activity, colossal magnetoresistance, and superconductivity. Conventional routes to tune and design functional materials includes chemical cation substitution and heterostructuring of oxide thin...
Keyword:: Oxyfluoride, Materials Design, Functional Properties, and Density Functional Theory
Subject:: Materials Science
Creator:: Harada, Jaye Kimiko
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 06/28/2021
Date Created:: 2021-01-01
Resource Type:: Dissertation
Alternate Identifier:: etdadmin_upload_819002 and http://dissertations.umi.com/northwestern:15569

Description:: This thesis focuses on identifying structure-property-performance relationships in supported nanoparticle catalysts, where an active catalyst material is supported on a high surface area substrate. Identifying these relationships in supported nanoparticle catalysts can be quite challenging, as the complex structure of these catalysts results in numerous potential sources for changes to...
Keyword:: Surfaces, Catalysis, Nanoparticles, Interfaces, Density Functional Theory, and Electron Microscopy
Subject:: Materials Science and Chemical engineering
Creator:: Mansley, Zachary Ryan
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 02/02/2022
Date Created:: 2021-01-01
Resource Type:: Dissertation
Alternate Identifier:: http://dissertations.umi.com/northwestern:15855 and etdadmin_upload_862543

Description:: A fundamental materials science question is “why and how will this material form?” The experimental,computation, and time resources necessary to answer this question consume significant resources due to the predominantly trial-and-error based approaches common in materials research. This dissertation reintroduces a number of fundamental thermodynamics-based tools for the study of...
Keyword:: Density Functional Theory, Aqueous Synthesis, Driving Force, Thermodynamics, Pourbaix Diagram, and Speciation
Subject:: Physics, Chemistry, and Materials Science
Creator:: Walters, Lauren Nichole
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 02/16/2023
Date Created:: 2022-01-01
Resource Type:: Dissertation
Alternate Identifier:: http://dissertations.umi.com/northwestern:16360 and etdadmin_upload_946544

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