Nanoscience and Nanotechnology Commons^™

Molecular Dynamics Simulations Of Dna-Functionalized Nanoparticle Building Blocks On Gpus, Tyler Landon Fochtman

Graduate Theses and Dissertations

This thesis discusses massively parallel molecular dynamics simulations of nBLOCKs using graphical processing units. nBLOCKs are nanoscale building blocks composed of gold nanoparticles functionalized with single-stranded DNA molecules. To explore greater simulation time scales we implement our nBLOCK computational model as an extension to the coarse grain molecular simulator oxDNA. oxDNA is parameterized to match the thermodynamics of DNA strand hybridization as well as the mechanics of single stranded DNA and double stranded DNA. In addition to an in-depth review of our implementation details we also provide results of the model validation and performance tests. These validation and performance tests …

Characterization Of Coupled Gold Nanoparticles In A Sparsely Populated Square Lattice, Roy Truett French Iii

Graduate Theses and Dissertations

Metal nanoparticles deposited in regular arrays spaced at optical wavelengths support a resonance due to a coherent coupling between localized surface plasmon mode and lattice diffraction allowing for engineering of tunable devices for use in biological sensors, nanoantennae, and enhanced spectroscopy. Techniques such as electron beam lithography, focused ion beam lithography, nanosphere lithography, and nanoimprint lithography are used for fabrication but are limited by cost, device throughput, and small deposition. Polymer soft lithography and continuous dewetting of particles is a potentially viable alternative showing promise in all of those areas. This thesis developed the fabrication of a refined hydrophilic nanoimprinted …

Morphology Controlled Synthesis Of Copper Based Multimetallic Nanostructures And Their Electrocatalytic Properties For Methanol Oxidation Reaction, Leanne Elizabeth Mathurin

Graduate Theses and Dissertations

This research focuses on the development of shape-controlled synthesis of Cu NM, Cu-based bimetallic and trimetallic nanostructures, and their electrocatalytic properties for methanol oxidation reaction (MOR). Copper nanomaterials (Cu NM) with specific surface facets can tailor their catalytic activity. Understanding reagents responsible for Cu NM growth is important for morphology-controlled synthesis of the nanostructures. This research studies the halide influence on Cu NM growth and morphology in an oil-based synthesis. The morphology of the Cu NM varies with the halide type (i.e., Cl-, Br-, I-), and the halide concentration. Additionally, the type of Cu precursor also influenced the morphology of …

Exploring Thermoresponsive Affinity Agents To Enhance Microdialysis Sampling Efficiency Of Proteins, Thaddeus Vasicek

Graduate Theses and Dissertations

Affinity agents increase microdialysis protein relative recovery, yet they have not seen widespread use within the microdialysis community due to their additional instrumentation requirements and prohibitive cost. This dissertation describes new affinity agents for microdialysis that require no additional instrumentation to use, have nearly 100% particle recovery, are 7 times more cost efficient than alternatives, and have low specificity enabling their use for a wide variety of proteins. Initially gold nanoparticles were chosen as an affinity ligand support due to their high surface area/volume ratio and colloidal stability. Poly (N-isopropylacrylamide) was immobilized to the gold nanoparticles, which served to sterically …

Plasmon-Mediated Energy Conversion In Metal Nanoparticle-Doped Hybrid Nanomaterials, Jeremy Dunklin

Graduate Theses and Dissertations

Climate change and population growth demand long-term solutions for clean water and energy. Plasmon-active nanomaterials offer a promising route towards improved energetics for efficient chemical separation and light harvesting schemes. Two material platforms featuring highly absorptive plasmonic gold nanoparticles (AuNPs) are advanced herein to maximize photon conversion into thermal or electronic energy. Optical extinction, attributable to diffraction-induced internal reflection, was enhanced up to 1.5-fold in three-dimensional polymer films containing AuNPs at interparticle separations approaching the resonant wavelength. Comprehensive methods developed to characterize heat dissipation following plasmonic absorption was extended beyond conventional optical and heat transfer descriptions, where good agreement was …

Novel Composites Between Nano-Structured Nickel Sulfides And Three-Dimensional Graphene For High Performance Supercapacitors, Xiaomin Wang, Huanglin Dou, Zhen Tian, Jiujun Zhang

Journal of Electrochemistry

In this paper, a three-dimensional graphene (3DG) network grown on nickel foam was employed as a template for synthesizing graphene-based composite materials of supercapacitor electrode. The composites (crystal Ni₃S₂ nanorods on the surface of 3DG (abbreviated as Ni₃S₂/3DG)) were obtained through a one-step hydrothermal reaction. The morphological and structural evolution of the Ni₃S₂/3DG composites were investigated by SEM, TEM, XRD and Raman spectroscopy. Detailed electrochemical characterization showed that the Ni₃S₂/3DG-coated electrodes exhibited both a specific capacitance as high as 1825 F·g^-1 at 5 mV·s …

Reconstruction Of Distributions Of Nanoparticles Or Electroactive Nano-Components In Electrochemical Arrays Based On Chronoamperometric Data, Alexander Oleinick, Oleksii Sliusarenko, Irina Svir, Christian Amatore

Journal of Electrochemistry

The main scope of this work was to elaborate and test a simple mathematical and numerical procedure for reconstructing the probability density distributions f(ρ) characterizing the distribution of electroactive or electrocatalytic nano-components present or deposited on the electrochemically-inert surface of a planar conductor based on the time-dependent chronoamperometric responses of the corresponding electrochemical array. The mathematical and numerical validity of the procedure was established for three types of arrays (one periodical, two involving random dispersions) involving near-spherical nano-components dispersed on a flat surface. Indeed, altogether, these three types represent most 2D-experimental electrochemical nano-arrays used for analytical or electrocatalytic purposes. This …

Comparative Studies Of Fe, Ni, Co And Their Bimetallic Nanoparticles For Electrochemical Water Oxidation, Maduraiveeran Govindhan, Brennan Mao, Aicheng Chen

Journal of Electrochemistry

The design of efficient, durable, and earth-abundant electrocatalysts via environmentally compatible strategies for the oxygen evolution reaction (OER) is a vital for energy conversion processes. Herein we report a facile approach for the fabrication of low-cost and earth abundant metal catalysts, including iron (Fe), nickel (Ni), cobalt (Co), CoNi, and CoFe nanoparticles (NPs) on titanium (Ti) substrates through a one-step electrochemical deposition. Field-emission scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD) spectrocopy, X-ray photoelectron spectroscopy (XPS), and electrochemical techniques were employed to characterize these nanoparticles. Our electrochemical results revealed that among the five synthesized nanomaterials, the …

Resistive-Pulse Analysis Of Single Phospholipid Vesicles Using Quartz Nanochannels, Jonathan T. Cox, Bo Zhang

Journal of Electrochemistry

We report the uses of resistive-pulse method and quartz nanochannels for the detection and size analysis of single vesicles. Cylindrical shape quartz nanochannels have been used to detect single phospholipid vesicles ranging from 100 to 300 nm and polystyrene nanoparticles ranging from 170 to 400 nm in diameter. Translocations of single vesicles and nanoparticle were detected as individual square current pulses, which could be used to determine particle size. Our results show excellent agreement between the particle/vesicle sizes obtained from nanochannels and those from dynamic light scattering (DLS) and scanning electron microscopy (SEM). This electronic-based method was found to be …

Comparison Of Oxygen Reduction Reaction Activity Of Pt-Alloy Nanocubes, Yongan Tang, Lin Dai, Shouzhong Zou

Journal of Electrochemistry

Alloying Pt with the first row non-noble transition metals has been demonstrated to increase the catalytic activity toward oxygen reduction reaction (ORR), which is the cathode reaction of the proton exchange membrane fuel cells (PEMFCs) and metal-air batteries. However, how much the ORR activity improvement comes from the alloying elements remains controversial. In this paper, the nanocubes of PtMn, PtFe, PtCo, and PtNi with the similar size and composition were prepared and their ORR activities were explored, in order to investigate the effects of alloying elements on the catalytic activity. The use of cubic shape particles minimizes the contribution to …

Rutile Tio2 Nanosheet Arrays Planted On Magnetron Sputtered Ti Metal Layers For Efficient Perovskite Solar Cells, Nang Zhang, Meidan Ye, Xiaoru Wen, Changjian Lin

Journal of Electrochemistry

In this work, vertical rutile titanium oxide (TiO₂) nanosheet arrays (NSAs) were firstly hydrothermally grown on the top of thin titanium (Ti) metal layers which were loaded on fluorine doped tin oxide (FTO) substrates by the DF magnetron sputtering deposition method. After an annealing post-treatment, the Ti metal layers were transformed into the compact TiO₂ layers with a strong connection between the rutile TiO₂ NSAs and the FTO substrates. For comparison, the rutile TiO₂ NSAs were similarly planted over two compact TiO₂ layers fabricated through atomic layer deposition (ALD) and spin coating (SC) methods, …

Electrodeposition Of Ruo2 Layers On Tio2 Nanotube Array Toward Co2 Electroreduction, Bei Jiang, Lina Zhang, Xianxian Qin, Wenbin Cai

Journal of Electrochemistry

RuO₂/TiO₂ composite materials have multitude of electrocatalytic applications including but not limited to CO₂ reduction reaction (CO₂RR). RuO₂/TiO₂ electrodes were previously prepared by repetitive coating and thermal decomposition (TD) of a Ru(III) precursor solution on Ti substrate. In this work, electrochemical potential cycling is applied to deposit amorphous RuO₂ (α-RuO₂) layers onto TiO₂ nanotube array (TNA) (RuO₂^CV/TNA) preformed on Ti foil. SEM, GIXRD, and voltammetry are applied to characterize the structures of the resulting RuO₂^CV/TNA. Ru loading on the RuO_{2 …}

Molecular And Biochemical Technologies For Modifying Plant Cell Walls And Producing Functional Biobased Products, Ningning Zhang

Student Theses and Dissertations

There is a continuing need for new molecular and biochemical processing technologies to more sustainably utilize biomass such as sugar beet pulp for environmental and economic benefit. This research project addressed the overarching research hypothesis that innovative molecular and biochemical technologies can enable more efficient processing of plant biomass and generate renewable biobased products for food and industrial use. Specifically, this research investigated upstream processing technologies toward re-engineering the plant cell wall for improved biomass processability and downstream processing technologies for efficient cell wall-depolymerizing (CWD) enzyme production and biomass processing. There were two Specific Aims addressed in this project: 1.) …

Fabrication And Study Of The Structure And Magnetism Of Rare-Earth Free Nanoclusters, Bhaskar Das

Department of Physics and Astronomy: Dissertations, Theses, and Student Research

No abstract provided.

Dna Directed Assembly Of Gold-Tipped Metallic Single-Walled Carbon Nanotubes Into Electrical Devices, Ronald D. Salesky

Nanoscience and Microsystems ETDs

Carbon nanotubes have rightfully been regarded as a wonder material since their discovery by Iijima in 1991 and the subsequent elucidation of their many material properties. Their extreme strength is 10-fold higher than any industrial fiber. Their current density carrying capability is orders of magnitude higher than copper without failure from electromigration. Their high thermal conductivity bests diamond, and their structural versatility leads to either semiconducting or metallic electronic character. These properties all make the integration of carbon nanotubes into functional devices of high value. However, they remain a material of largely unrealized potential due to several challenges that arise …

Method And Shear-Driven Micro-Fluidic Pump, Nihad E. Daidzic

Aviation Department Publications

United States Patent Application, Publication Number US 2017/0096990 A1, Publication Date April 6, 2017.

An example includes an apparatus to pump a fluid. The apparatus includes a housing extending along a length defining an elongate interior, an actuator in the housing, conforming to the elongate interior, the actuator including a plurality of lumens, each having a length extending substantially parallel to the elongate interior, each from around 10 to 200 micrometers across and an actuator configured to oscillate the actuator in the actuator housing along the length of the elongate interior with a rate differential between movement in a first …

Catalyzed Synthesis Of Zinc Clays By Prebiotic Central Metabolites, Marcelo I. Guzman, Ruixin Zhou, Kaustuv Basu, Hyman Hartman, Christopher J. Matocha, S. Kelly Sears, Hajatollah Vali

Chemistry Faculty Publications

How primordial metabolic networks such as the reverse tricarboxylic acid (rTCA) cycle and clay mineral catalysts coevolved remains a mystery in the puzzle to understand the origin of life. While prebiotic reactions from the rTCA cycle were accomplished via photochemistry on semiconductor minerals, the synthesis of clays was demonstrated at low temperature and ambient pressure catalyzed by oxalate. Herein, the crystallization of clay minerals is catalyzed by succinate, an example of a photoproduced intermediate from central metabolism. The experiments connect the synthesis of sauconite, a model for clay minerals, to prebiotic photochemistry. We report the temperature, pH, and concentration dependence …

Primary Blast Waves Induced Brain Dynamics Influenced By Head Orientations, Yi Hua, Yugang Wang, Linxia Gu

Department of Mechanical and Materials Engineering: Faculty Publications

There is controversy regarding the directional dependence of head responses subjected to blast loading. The goal of this work is to characterize the role of head orientation in the mechanics of blast wave-head interactions as well as the load transmitting to the brain. A three-dimensional human head model with anatomical details was reconstructed from computed tomography images. Three different head orientations with respect to the oncoming blast wave, i.e., front-on with head facing blast, back-on with head facing away from blast, and side-on with right side exposed to blast, were considered. The reflected pressure at the blast wave-head interface positively …

Enhanced Performance Of Planar Perovskite Solar Cells Using Low-Temperature Solution-Processed Al-Doped Sno2 As Electron Transport Layers, Hao Chen, Detao Liu, Yafei Wang, Chenyun Wang, Ting Zhang, Peng Zhang, Hojjatollah Sarvari, Zhi Chen, Shibin Li

Electrical and Computer Engineering Faculty Publications

Lead halide perovskite solar cells (PSCs) appear to be the ideal future candidate for photovoltaic applications owing to the rapid development in recent years. The electron transport layers (ETLs) prepared by low-temperature process are essential for widespread implementation and large-scale commercialization of PSCs. Here, we report an effective approach for producing planar PSCs with Al³⁺ doped SnO₂ ETLs prepared by using a low-temperature solution-processed method. The Al dopant in SnO₂ enhanced the charge transport behavior of planar PSCs and increased the current density of the devices, compared with the undoped SnO₂ ETLs. Moreover, the enhanced electrical …

Electronic Properties Of A New All-Inorganic Perovskite Tlpbi3 Simulated By The First Principles, Zhao Liu, Ting Zhang, Yafei Wang, Chenyun Wang, Peng Zhang, Hojjatollah Sarvari, Zhi Chen, Shibin Li

Electrical and Computer Engineering Faculty Publications

All-inorganic perovskites have been recognized as promising photovoltaic materials. We simulated the perovskite material of TlPbI₃ using ab initio electronic structure calculations. The band gap of 1.33 eV is extremely close to the theoretical optimum value. Compared TlPbI₃ with CsPbI₃, the total energy (−3980 eV) of the former is much lower than the latter. The partial density of states (PDOS) of TlPbI₃ shows that a strong bond exists between Tl and I, resulting in the lower total energy and more stable existence than CsPbI₃.