Nanoscience and Nanotechnology Commons^™

Mitigation Of Electromigration In Metal Interconnects Passivated By Ångstrom-Thin 2d Materials, Yunjo Jeong

USF Tampa Graduate Theses and Dissertations

Electromigration in metal interconnects remains one of the most prominent challenges in the state-of-the-art semiconductor industry. A phenomenon defined as the momentum transfer from electrons in an electric current to the metal atoms in a conductor, electromigration creates voids and hillocks that ultimately cause failures in nanoelectronics due to short or open circuits. Additionally, electromigration induces undesirable diffusion of metal atoms into the dielectric material, forcing the need for a barrier material that can mitigate such adverse effects of the phenomenon. However, extremely tight dimensional control of modern transistor designs imposes reduced dimensions of the interconnects in order to accommodate …

Tunable Controlled Release Of Molecular Species From Halloysite Nanotubes, Divya Narayan Elumalai

Doctoral Dissertations

Encouraged by potential applications in rust coatings, self-healing composites, selective delivery of drugs, and catalysis, the transport of molecular species through Halloysite nanotubes (HNTs), specifically the storage and controlled release of these molecules, has attracted strong interest in recent years. HNTs are a naturally occurring biocompatible nanomaterial that are abundantly and readily available. They are alumosilicate based tubular clay nanotubes with an inner lumen of 15 nm and a length of 600-900 nm. The size of the inner lumen of HNTs may be adjusted by etching. The lumen can be loaded with functional agents like antioxidants, anticorrosion agents, flame-retardant agents, …

Adsorption And Diffusion Of Gases In Nano-Porous Materials, Nethika Sahani Suraweera

Doctoral Dissertations

In this work, a systematic computational study directed toward developing a molecular-level understanding of gas adsorption and diffusion characteristics in nano-porous materials is presented. Two different types of porous adsorbents were studied, one crystalline and the other amorphous. Physisorption and diffusion of hydrogen in ten iso-reticular metal-organic frameworks (IRMOFs) were investigated. A set of nine adsorbents taken from a class of novel, amorphous nano-porous materials composed of spherosilicate building blocks and isolated metal sites was also studied, with attention paid to the adsorptive and diffusive behavior of hydrogen, methane, carbon dioxide and their binary mixtures. Both classes of materials were …

Plasma-Enhanced Atomic Layer Deposition Of Ruthenium-Titanium Nitride Mixed-Phase Layers For Direct-Plate Liner And Copper Diffusion Barrier Applications, Adam James Gildea

Legacy Theses & Dissertations (2009 - 2024)

Current interconnect networks in semiconductor processing utilize a sputtered TaN diffusion barrier, Ta liner, and Cu seed to improve the adhesion, microstructure, and electromigration resistance of electrochemically deposited copper that fills interconnect wires and vias. However, as wire/via widths shrink due to device scaling, it becomes increasingly difficult to have the volume of a wire/via be occupied with ECD Cu which increases line resistance and increases the delay in signal propagation in IC chips. A single layer that could serve the purpose of a Cu diffusion barrier and ECD Cu adhesion promoter could allow ECD Cu to occupy a larger …

Molecular Dynamics Study Of Diffusion Of O2 Penetrates In Uncrosslinked Polydimethysiloxane (Pdms), Crosslinked Pdms, And Pdms-Based Nanocomposites, Varun Ullal

Graduate Theses and Dissertations

Molecular dynamics simulations are used to study diffusion of O₂ molecules in pure polydimethysiloxane (PDMS), crosslinked PDMS, and PDMS-based nanocomposites. The PDMS chains and penetrates are modeled using a hybrid interatomic potential which treats the Si-O atoms along the chain backbone explicitly while coarse-graining the methyl side groups and penetrates. By tracking the diffusion of penetrates in the system and subsequently computing their mean-squared displacement, diffusion coefficients are obtained. In pure PDMS models of varying molecular weight, diffusivity of the O₂2 penetrates is found to have an inverse relationship with chain length. Simulation models with longer chains …

Molecular Simulations Of Adsorption And Diffusion In Metal-Organic Frameworks (Mofs), Ruichang Xiong

Doctoral Dissertations

Metal-organic frameworks (MOFs) are a new class of nanoporous materials that have received great interest since they were first synthesized in the late 1990s. Practical applications of MOFs are continuously being discovered as a better understanding of the properties of materials adsorbed within the nanopores of MOFs emerges. One such potential application is as a component of an explosive-sensing system. Another potential application is for hydrogen storage.

This work is focused on tailoring MOFs to adsorb/desorb the explosive, RDX. Classical grand canonical Monte Carlo (GCMC) and molecular dynamic (MD) simulations have been performed to calculate adsorption isotherms and self-diffusivities of …