Nanoscience and Nanotechnology Commons^™

Limit For Thermal Transport Reduction In Si Nanowires With Nanoengineered Corrugations, Sean E. Sullivan, Keng-Hua Lin, Stanislav Avdoshenko, Alejandro Strachan

Birck and NCN Publications

Non-equilibrium molecular dynamics simulations reveal that the thermal conductance of Si nanowires with periodic corrugations is lower than that of smooth wires with cross-sections equivalent to the constricted portions. This reduction in conductance is up to 30% and tends to plateau with increasing corrugation height. Spatially resolved temperature and heat current maps provide a microscopic understanding of this effect; we find that 80% of the heat current is carried through the constricted area even for high-amplitude corrugations. More importantly, we show that temperature gradient inversion and heat current vortices at the ridge peaks establish fundamental limits on maximum conductance reduction. …

Homogeneous Algan/Gan Superlattices Grown On Free-Standing (1(1)Over-Bar00) Gan Substrates By Plasma-Assisted Molecular Beam Epitaxy, Jiayi Shao, Dmitri N. Zakharov, Collin Edmunds, Oana Malis, Michael J. Manfra

Birck and NCN Publications

Two-dimensional and homogeneous growth of m-plane AlGaN by plasma-assisted molecular beam epitaxy has been realized on free-standing (1 (1) over bar 00) GaN substrates by implementing high metal-to-nitrogen (III/N) flux ratio. AlN island nucleation, often reported for m-plane AlGaN under nitrogen-rich growth conditions, is suppressed at high III/N flux ratio, highlighting the important role of growth kinetics for adatom incorporation. The homogeneity and microstructure of m-plane AlGaN/GaN superlattices are assessed via a combination of scanning transmission electron microscopy and high resolution transmission electron microscopy (TEM). The predominant defects identified in dark field TEM characterization are short basal plane stacking faults …

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 …

Structure And Energetics Of Nanoparticles And Ionomer Films In Fuel Cell Catalyst Layers, Qianping He

Doctoral Dissertations

Improving the durability and utilization efficiency of the platinum-on-carbon (Pt/C) catalyst is of vital importance to the commercialization of the polymer electrolyte membrane fuel cell (PEMFC). This body of work provides molecular level insights to aid the fulfillment of this goal. Chapter 1 describes the use of molecular dynamics (MD) simulation in an effort to understand the Pt/C degradation issue from the nano-adhesion point of view. The roles of catalyst nanoparticle size, shape, Pt/C surface oxidation and the extent of ionomer film hydration are investigated to study their effects on nano-particle adhesion. It is found that the adhesion force strengthens …

Friction And Wear Of Polytetrafluoroethylene/Graphene Oxide Composite Thin Films, Justin Kyle Carter

Graduate Theses and Dissertations

Polytetrafluoroethylene (PTFE) is a commonly used solid lubricant due to its low coefficient of friction and chemical inertness. As a polymer, PTFE suffers from high wear and low adhesion to substrates limiting its use as a thin film. Thin PTFE films are ideal candidates for solid lubrication in micro-machines and bearing applications. The main goal of this work is to enhance the durability of thin PTFE films through the addition of few layered graphene oxide (GO) as filler. In order to address adhesion issues, the addition of an adhesive layer of polydopamine (PDA) between stainless steel substrates and thin PTFE …

Assessing Different Zeolitic Adsorbents For Their Potential Use In Kr And Xe Separation, Breetha Alagappan

UNLV Theses, Dissertations, Professional Papers, and Capstones

Separation of Kr from Xe is an important problem in spent nuclear fuel fission gas management. The energy intensive and expensive cryogenic distillation method is currently used to separate these gases. In this thesis, we have carried out the research into appropriate sorbents for the separation of Kr and Xe using pressure swing adsorption. We have examined zeolites using gas adsorption studies as they have the potential to be more cost effective than other sorbents. Zeolites are microporous aluminosilicates and have ordered pore structures. The pores in zeolites have extra-framework cations are substantially free to move. The mobility of cations …

An Integrated Multidisciplinary Nanoscience Concentration Certificate Program For Stem Education, Karen S. Martirosyan, Mikhail M. Bouniaev, Malik Rakhmanov, Ahmed Touhami, Nazmul Islam, Davood Askari, Tarek Trad, Dmitri Litvinov, Sergey E. Lyshevski

Physics and Astronomy Faculty Publications and Presentations

Integration of nanoscience and nanotechnology curricula into the College of Science, Mathematics, and Technology (CSMT) at the University of Texas at Brownsville (UTB) is reported. The rationale for the established multidisciplinary Nanoscience Concentration Certificate Program (NCCP) is to: (i) develop nanotechnology-relevant courses within a comprehensive Science, Engineering and Technology curriculum, and, to offer students an opportunity to graduate with a certificate in nanoscience and nanotechnology; (ii) to contribute to students' success in achieving student outcomes across all college's majors, and, improve the breath, depth and quality of science, technology, engineering and mathematics (STEM) graduates' education; (iii) through NCCP, recruit certificate- …

Near-Infrared Surface-Enhanced Fluorescence Using Silver Nanoparticles In Solution, Michael D. Furtaw

Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research

Fluorescence spectroscopy is a widely used detection technology in many research and clinical assays. Further improvement to assay sensitivity may enable earlier diagnosis of disease, novel biomarker discovery, and ultimately, improved outcomes of clinical care along with reduction in costs. Near-infrared, surface-enhanced fluorescence (NIR-SEF) is a promising approach to improve assay sensitivity via simultaneous increase in signal with a reduction in background. This dissertation describes research conducted with the overall goal to determine the extent to which fluorescence in solution may be enhanced by altering specific variables involved in the formation of plasmonactive nanostructures of dye-labeled protein and silver nanoparticles …

Zinc Oxide Nanorod Based Ultraviolet Detectors With Wheatstone Bridge Design, Arun Vasudevan

Graduate Theses and Dissertations

This research work, for the first time, investigated metal semiconductor-metal (MSM) zine oxide (ZnO) nanorod based ultra-violet (UV) detectors having a Wheatstone bridge design with a high

responsivity at room temperature and above, as well as a responsivity that was largely independent of the change in ambient conditions. The ZnO nanorods which acted as the sensing element of the detector were grown by a chemical growth technique. Studies were conducted to determine the effects on ZnO nanorod properties by varying the concentration of the chemicals used for the rod growth. These studies showed how the rod diameter and the deposition …

Structure And Properties Of Polypropylene-Nanoclay Composites, Raghavendra R. Hegde Dr

Raghavendra R Hegde Dr

The structure, morphology and mechanical properties of polypropylene-nanoclay composites with 1 to 15 wt.% nanoclay additives were investigated. Mixture of intercalated and exfoliated morphology was observed in nanocomposites. At higher weight percentage reinforcement (10–15 wt.%), up to 67 % improvement in tensile modulus is observed. At higher weight percentage, exclusion of clay additives at the boundary of spherulites was observed. This study illustrates that along with the thermodynamic driving force, spherulite formation also drives the ultimate morphology

Ergonomichandle And Articulating Laparoscopictool, M. Susan Hallbeck, Dmitry Oleynikov, Kathryn Done, Tim Judkins, Allison Dimartino, Jonathan Morse, Lawton N. Verner

Department of Mechanical and Materials Engineering: Faculty Publications

The present invention relates to a laparoscopic apparatus. The apparatus includes a handle having a body portion, a top surface, opposite bottom surface, a proximal and distal end. The top surface of the base is contoured to compliment the natural curve of the palm. The apparatus further includes a shaft projecting from the distal end of the handle. The shaft has a proximal and distal end. A control sphere is located on the handle. The control sphere can be moved by one or more of a user's fingers to indicate direction. An end effector is located at the distal end …

Computational Nanoelectronics Research And Education At Nanohub.Org, Benjamin P. Haley, Gerhard Klimeck, Mathieu Luisier, Dragica Vasileska, Abhijeet Paul, Swaroop Shivarajapura, Diane L. Beaudoin

Gerhard Klimeck

The simulation tools and resources available at nanoHUB.org offer significant opportunities for both research and education in computational nanoelectronics. Users can run simulations on existing powerful computational tools rather than developing yet another niche simulator. The worldwide visibility of nanoHUB provides tool authors with an unparalleled venue for publishing their tools. We have deployed a new quantum transport simulator, OMEN, a state-of-the-art research tool, as the engine driving two tools on nanoHUB. The educational resources of nanoHUB are one fo the most important aspects of the project, according to user surveys. new collections of tools into unified curricula have found …

Structures And Energetics Of Si Nanotubes From Molecular Dynamics And Density Functional Theory, Amritanshu Palaria, Gerhard Klimeck, Alejandro Strachan

Gerhard Klimeck

We use molecular dynamics (MD) with a first principles-based force field (ReaxFF) and density functional theory (DFT) to predict the atomic structure, energetics and elastic propoerties of Si nanotubes. We find various low-energy and low-symmetry hollow structures with external diameters of about 1 nm. These are the most stable structures in this small-diameter regime reported so far and exhibit properties very different from the bulk. While the cohesive energies of the four most stable nanotubes reported here are similar (from 0.638 to 0.697 eV above bulk Si), they have disparate Young's moduli (from 72 to 123 GPa).

Interface Trap Density Metrology From Sub-Threshold Transport In Highly Scaled Undoped Si N-Finfets, Abhijeet Paul, Giuseppe C. Tettamanz, Sunhee Lee, Saumitra R. Mehrotra, Nadine Collaert, Serge Biesemans, Sven Rogge, Gerhard Klimeck

Gerhard Klimeck

Channel conductance measurements can be used as a tool to study thermally activated electron transport in the sub-threshold region of state-of-art FinFETs. Together with theoretical Tight- Binding (TB) calculations, this technique can be used to understand the evolution of source-to- channel barrier height (Eb) and of active channel area (S) with gate bias (Vgs). The quantitative difference between experimental and theoretical values that we observe can be attributed to the interface traps present in these FinFETs. Therefore, based on the difference between measured and calculated values of (i) S and (ii) |∂Eb/∂Vgs| (channel to gate coupling), two new methods of …

Enhanced Valence Force Field Model For The Lattice Properties Of Gallium Arsenide, Sebastian Steiger, Mehdi Salmani-Jelodar, Denis Areshkin, Abhijeet Paul, Tillmann Kubis, Michael Povolotskyi, Hong-Hyun Park, Gerhard Klimeck

Gerhard Klimeck

An enhanced valence force field model for zinc-blende crystals is developed to provide a unified description of the isothermal static and dynamical lattice properties of gallium arsenide. The expression for the lattice energy includes a second-nearest-neighbor coplanar interaction term, the Coulomb interaction between partially charged ions, and anharmonicity corrections. General relations are derived between the microscopic force constants and the macroscopic elastic constants in zinc-blende crystals. Applying the model to gallium arsenide, parameter sets are presented that yield quantitative agreement with experimental results for the phonon dispersion, elastic constants, sound velocities, and Gru ̈neisen mode parameters.

Rate Equations From The Keldysh Formalism Applied To The Phonon Peak In Resonant-Tunneling Diodes, Roger Lake, Gerhard Klimeck, Supriyo Datta

Gerhard Klimeck

Starting from the Keldysh formalism, general analytical expressions are derived for the current and the occupation of the well in the presence of inelastic scattering, both at the main peak and at the pho- non peak. These expressions are then evaluated from a continuous coordinate representation of a double-barrier potential profile and also from a tight-binding model of a weakly coupled central site. The resulting expressions are similar, and the analytical expressions derived from the continuous coordi- nate representation compare well with the results obtained from numerical simulations. The analytical expressions and the numerical results show that unlike the main …

Atomistic Study Of Electronic Structure Of Pbse Nanowires, Abhijeet Paul, Gerhard Klimeck

Gerhard Klimeck

Lead Selenide (PbSe) is an attractive ‘IV-VI’ semiconductor material to design optical sensors, lasers and thermoelectric devices. Improved fabrication of PbSe nanowires (NWs) enables the utilization of low dimensional quantum effects. The effect of cross-section size (W) and channel orientation on the bandstructure of PbSe NWs is studied using an 18 band sp3d5 tight-binding theory. The bandgap increases almost with the inverse of the W for all the orientations indicating a weak symmetry dependence. [111] and [110] NWs show higher ballistic conductance for the conduction and valence band compared to [100] NWs due to the significant splitting of the projected …

Performance Analysis Of Statistical Samples Of Graphene Nanoribbon Tunneling Transistors With Line Edge Roughness, Mathieu Luisier, Gerhard Klimeck

Gerhard Klimeck

Using a three-dimensional, atomistic quantum transport simulator based on the tight-binding method, we investigate statistical samples of single-gate graphene nanoribbon (GNR) tunneling field-effect transistors (TFETs) with different line edge roughness probabilities. We find that as the nanoribbon edges become rougher, the device OFF-current drastically increases due to a reduction of the graphene band gap and an enhancement of source-to-drain tunneling leakage through the gate potential barrier. At the same time, the ON-current remains almost constant. This leads to a deterioration of the transistor subthreshold slopes and to unacceptably low ON/OFF current ratios limiting the switching performances of GNR TFETs.

Spin-Valley Lifetimes In A Silicon Quantum Dot With Tunable Valley Splitting, C. H. Yang, A. Rossi, R. Ruskov, N. S. Lai, F. A. Mohiyaddin, S. Lee, C. Tahan, Gerhard Klimeck, A. Morello, A. S. Dzurak

Gerhard Klimeck

Although silicon is a promising material for quantum computation, the degeneracy of the conduction band minima (valleys) must be lifted with a splitting sufficient to ensure the formation of well-defined and long-lived spin qubits. Here we demonstrate that valley separation can be accurately tuned via electrostatic gate control in a metal-oxide-semiconductor quantum dot, providing splittings spanning 0.3-0.8 meV. The splitting varies linearly with applied electric field, with a ratio in agreement with atomistic tight-binding predictions. We demonstrate single-shot spin read-out and measure the spin relaxation for different valley configurations and dot occupancies, finding one-electron lifetimes exceeding 2 s. Spin relaxation …

Engineered Valley-Orbit Splittings In Quantum-Confined Nanostructures In Silicon, Rajib Rahman, J. Verdujin, Neerav Kharche, Gabriel Lansbergen, Purdue University Gerhard Klimeck, Lloyd Hollenberg, Sven Rogge

Gerhard Klimeck

An important challenge in silicon quantum electronics in the few electron regime is the poten- tially small energy gap between the ground and excited orbital states in 3D quantum confined nanostructures due to the multiple valley degeneracies of the conduction band present in silicon. Understanding the “valley-orbit” (VO) gap is essential for silicon qubits, as a large VO gap prevents leakage of the qubit states into a higher dimensional Hilbert space. The VO gap varies considerably depending on quantum confinement, and can be engineered by external electric fields. In this work we investigate VO splitting experimentally and theoretically in a …