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Full-Text Articles in Nanoscience and Nanotechnology

Probing Local Vacancy-Driven Resistive Switching In Metal Oxide Nanostructures, Jiaying Wang Oct 2018

Probing Local Vacancy-Driven Resistive Switching In Metal Oxide Nanostructures, Jiaying Wang

Doctoral Dissertations

Novel nonvolatile memory technologies garner intense research interest as conventional ash devices approach their physical limit. Memristors, often comprising an insulating thin film between two metal electrodes to constitute a class of two-terminal devices, enable a variety of important large data storage and data-driven computing applications. In addition to nonvolatile behavior, other features such as high scalability, low power consumption, and sub-nanosecond response times make memristors among the most attractive candidate systems. Their strength in electronic storage relies on the unique properties of the tunable variations in resistance induced from the accumulation of charged defects based on the applied bias …


Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn Oct 2018

Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn

Doctoral Dissertations

Density functional theory (DFT) and time dependent density functional theory (TDDFT) have had great success solving for ground state and excited states properties of molecules, solids and nanostructures. However, these problems are particularly hard to scale. Both the size of the discrete system and the number of needed eigenstates increase with the number of electrons. A complete parallel framework for DFT and TDDFT calculations applied to molecules and nanostructures is presented in this dissertation. This includes the development of custom numerical algorithms for eigenvalue problems and linear systems. New functionality in the FEAST eigenvalue solver presents an additional level of …


Role Of Rigidity And Flexibility Of Functional Groups Within The Interior Of Supramolecular Assemblies And Their Implications, Oyuntuya Munkhbat Mar 2018

Role Of Rigidity And Flexibility Of Functional Groups Within The Interior Of Supramolecular Assemblies And Their Implications, Oyuntuya Munkhbat

Doctoral Dissertations

Engineering of supramolecular assemblies at molecular level renders functional nanomaterials that present explicit response to certain environmental changes. Systematic structure-property correlation studies will unravel the fundamental design constraints of these functional nanomaterials that fulfill the emergent need. This dissertation will primarily focus on understanding the role of rigidity and flexibility of functional groups within amphiphilic assemblies and employing this basic concept in drug delivery and diagnostics applications. Supramolecular assemblies formed by amphiphilic dendrimers and polymers are preferred for this study as they exhibit high thermodynamic stability and structural flexibility. The role of aromatic interaction on the unimer-aggregate dynamic equilibrium was …