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Articles 61 - 90 of 339
Full-Text Articles in Physics
Rational Design Of Super-Alkalis And Their Role In Co2 Activation, Tianshan Zhao, Qian Wang, Puru Jena
Rational Design Of Super-Alkalis And Their Role In Co2 Activation, Tianshan Zhao, Qian Wang, Puru Jena
Physics Publications
Super-alkalis are clusters of atoms. With ionization potentials smaller than those of the alkali atoms, they are playing an increasing role in chemistry as highlighted by recent applications in solar cells as well as in Li-ion batteries. For the past 40 years superalkalis were designed using inorganic elements with the sp orbital character. Here, we show that a large class of superalkalis composed of only simple metal atoms, transition metal complexes as well as organic molecules can be designed by making use of electron counting rules beyond the octet rule. Examples include Al-3(+), Mn(B3N3H6)(2)(+), B9C3H12+, and C5NH6+ which obey the …
B-12(Scn)(12)(-): An Ultrastable Weakly Coordinating Dianion, Hong Fang, Puru Jena
B-12(Scn)(12)(-): An Ultrastable Weakly Coordinating Dianion, Hong Fang, Puru Jena
Physics Publications
Stable dianions that are weakly coordinating with metal ions are not common. In this work, we show that the thiocyanate SCN- anion, known for its detoxification property of cyanide CN- and antidegradation property of perovskite solar cell materials, can also be used to produce a new set of weakly coordinating B-12(SCN)(12)(-) dianion complexes which are potential candidates for the anionic part inside the electrolytes of metal-ion, especially the magnesium-ion-based, batteries.
Metal Chalcogenide Clusters With Closed Electronic Shells And The Electronic Properties Of Alkalis And Halogens, Vikas Chauhan, Arthur C. Reber, Shiv N. Khanna
Metal Chalcogenide Clusters With Closed Electronic Shells And The Electronic Properties Of Alkalis And Halogens, Vikas Chauhan, Arthur C. Reber, Shiv N. Khanna
Physics Publications
Clusters with filled electronic shells and a large gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) are generally energetically and chemically stable. Enabling clusters to become electron donors with low ionization energies or electron acceptors with high electron affinities usually requires changing the valence electron count. Here we demonstrate that a metal cluster may be transformed from an electron donor to an acceptor by exchanging ligands while the neutral form of the clusters has closed electronic shells. Our studies on Co6Te8(PEt3),(CO) (m + n = 6) clusters show that Co6Te8(PEt3)(6) has a closed …
The Effect Of Substituted Benzene Dicarboxylic Acid Linkers On The Optical Band Gap Energy And Magnetic Coupling In Manganese Trimer Metal Organic Frameworks, K. S. Asha, Arthur C. Reber, N. Ahmed, R. Nath, Shiv N. Khanna, Sukhendu Mandal
The Effect Of Substituted Benzene Dicarboxylic Acid Linkers On The Optical Band Gap Energy And Magnetic Coupling In Manganese Trimer Metal Organic Frameworks, K. S. Asha, Arthur C. Reber, N. Ahmed, R. Nath, Shiv N. Khanna, Sukhendu Mandal
Physics Publications
We have systematically studied a series of eight metal-organic frameworks (MOFs) in which the secondary building unit is a manganese trimer cluster, and the linkers are differently substituted benzene dicarboxylic acids (BDC). The optical band gap energy of the compounds vary from 2.62 eV to 3.57 eV, and theoretical studies find that different functional groups result in new states in the conduction band, which lie in the gap and lower the optical band gap energy. The optical absorption between the filled Mn 3d states and the ligands is weak due to minimal overlap of the states, and the measured optical …
In Defense Of Science—What Would John Do?, Mohamed Gad-El-Hak
In Defense Of Science—What Would John Do?, Mohamed Gad-El-Hak
Mechanical and Nuclear Engineering Publications
Recent onslaughts on the importance of pure research to our collective well-being are trending. In this essay, I discuss the issues involved and offer a rebuttal. The thoughts are inspired by my mentor, academic sibling, and idol John Leask Lumley.
Code For "Noise-Enhanced Coding In Phasic Neuron Spike Trains", Cheng Ly, Brent D. Doiron
Code For "Noise-Enhanced Coding In Phasic Neuron Spike Trains", Cheng Ly, Brent D. Doiron
Statistical Sciences and Operations Research Data
This zip file contains Matlab scripts and ode (XPP) files to calculate the statistics of the models in "Noise-Enhanced Coding in Phasic Neuron Spike Trains". This article is published in PLoS ONE.
Evolution Of The Spin Magnetic Moments And Atomic Valence Of Vanadium In Vcux+, Vagx+, And Vaux+ Clusters (X = 3–14), William H. Blades, Arthur C. Reber, Shiv N. Khanna, Luis López-Sosa, Patrizia Calaminici, Andreas M. Köster
Evolution Of The Spin Magnetic Moments And Atomic Valence Of Vanadium In Vcux+, Vagx+, And Vaux+ Clusters (X = 3–14), William H. Blades, Arthur C. Reber, Shiv N. Khanna, Luis López-Sosa, Patrizia Calaminici, Andreas M. Köster
Physics Publications
The atomic structures, bonding characteristics, spin magnetic moments, and stability of VCUx+, VAgx+, and VAux+ (x = 3-14) clusters were examined using density functional theory. Our studies indicate that the effective valence of vanadium is size-dependent and that at small sizes some of the valence electrons of vanadium are localized on vanadium, while at larger sizes the 3d orbitals of the vanadium participate in metallic bonding eventually quenching the spin magnetic moment. The electronic stability of the clusters may be understood through a split-shell model that partitions the valence electrons in either a delocalized shell or localized on the vanadium …
Symmetry And Magnetism In Ni9te6 Clusters Ligated By Co Or Phosphine Ligands, Arthur C. Reber, Vikas Chauhan, Shiv N. Khanna
Symmetry And Magnetism In Ni9te6 Clusters Ligated By Co Or Phosphine Ligands, Arthur C. Reber, Vikas Chauhan, Shiv N. Khanna
Physics Publications
The removal of a single ligand from the magnetic Ni9Te6(L)(8) (L = P(CH3)(3), CO) clusters is found to quench the magnetic moment. The reduction in magnetic moment is caused by a geometric deformation of the Ni9Te6 core that breaks the octahedral symmetry of the cluster. This effect is observed in both the CO and phosphine based ligands. The octahedral symmetry bare cluster is also found to have a large magnetic moment. These results highlight the dilemma faced by magnetic ligand protected clusters whose symmetry has been broken: whether to break the spin symmetry as in Hund's rules or to break …
Nature Of Bonding In Bimetallic Or Ligated Aluminum Clusters, Cam J. Grover
Nature Of Bonding In Bimetallic Or Ligated Aluminum Clusters, Cam J. Grover
Theses and Dissertations
In this study, Amsterdam Density Functional software is used to model bimetallic and ligated aluminum clusters. The stability of the bimetallic clusters is well described by the Jellium model, and the nature of bonding between dopants and aluminum in the bimetallic clusters is analyzed using different criteria. We find that sodium tends to bind ionically, while the bonding of magnesium is not so obvious. We also determine that examining the Mulliken population is the most useful parameter in differentiating bonding character. Calculations on ligated aluminum clusters reveal it behaves fundamentally different than the bimetallic clusters studied in the first part. …
Investigations Into Structure And Properties Of Atomically-Precise Transition Metal-Chalcogenide Clusters Of Crte And Ligated Cr6te8(Pet3)6, Anthony F. Pedicini
Investigations Into Structure And Properties Of Atomically-Precise Transition Metal-Chalcogenide Clusters Of Crte And Ligated Cr6te8(Pet3)6, Anthony F. Pedicini
Theses and Dissertations
The complete understanding of a clusters electronic structure, the primary mechanisms for its properties and stabilization is necessary in order to functionalize them for use as building blocks within novel materials. First principle theoretical studies have been carried out upon the electronic properties of CrxTey (x = 1 – 6, y = 0 – 8, x + y ≤ 14), as well as for the larger triethylphosphine (PEt3) ligated cluster system of Cr6Te8(PEt3)6. Together, we aim to use the information garnered from the smaller clusters to address …
Theoretical And Experimental Analysis Of Optical Properties Of Defects In Gan:, Ibrahima Castillo Diallo
Theoretical And Experimental Analysis Of Optical Properties Of Defects In Gan:, Ibrahima Castillo Diallo
Theses and Dissertations
Using the Heyd-Scuseria-Ernzherof (HSE06) hybrid functional method along with photoluminescence experimental measurements, we analyze the properties of intrinsic defects such as vacancies, interstitials, antisites, and common complexes. By using configurational coordinate diagrams, we estimate the likelihood of defects to be radiative or non-radiative. Our calculations show that gallium vacancies exhibit a large magnetic moment in the neutral charge state and are most likely non-radiative. We also investigate the correlation between the observed infrared PL bands created in 2.5 MeV electron-irradiated GaN samples and the formation of native defects. It is found that gallium-nitrogen divacancies are possible sources of the broad …
Thermal Quenching Of Photoluminescence In Zno And Gan, Nahla Albarakati
Thermal Quenching Of Photoluminescence In Zno And Gan, Nahla Albarakati
Theses and Dissertations
Investigation of the thermal quenching of photoluminescence (PL) in semiconductors provides valuable information on identity and characteristics of point defects in these materials, which helps to better understand and improve the properties of semiconductor materials and devices. Abrupt and tunable thermal quenching (ATQ) of PL is a relatively new phenomenon with an unusual behavior of PL. This mechanism was able to explain what a traditional model failed to explain. Usually, in traditional model used to explain “normal” quenching, the slope of PL quenching in the Arrhenius plot determines the ionization energy of the defect causing the PL band. However, in …
Study Of The Photoluminescence Spectra Of Mg-Doped Gan, Puranjan Ghimire
Study Of The Photoluminescence Spectra Of Mg-Doped Gan, Puranjan Ghimire
Theses and Dissertations
We have studied luminescence properties of Mg-doped GaN grown by hydride vapor phase epitaxy. Steady state photoluminescence (PL) spectra have been analyzed. Exciton, ultraviolet luminescence (UVL) and blue luminescence (BL) bands are the dominant PL bands in the spectra. At low temperature, Exciton and UVL bands show almost no shift with excitation intensity, whereas the BL band blueshifts by almost 0.4 ���� with increasing excitation intensity by seven orders of magnitude. Such shifting nature of bands with excitation intensity is explained by assuming that the BL band is detected from the region of the sample where potential fluctuations are very …
Gravitational Microlensing, Wesley M. Barnes
Gravitational Microlensing, Wesley M. Barnes
Theses and Dissertations
A gravitational microlensing event occurs when a foreground star passes near our line of site to a background source star. The foreground star acts as a lens, perturbing the image of the source star and amplifying the apparent intensity. Because the lens is in motion relative to the source star, the amplification is a function in time, resulting in a characteristic microlensing light curve. If the lens happens to have a planetary companion, the resulting light curve will be perturbed due the planet and the characteristics of the binary system can be ascertained.
Application Of The Fisher Dimer Model To Dna Condensation, John C. Baker Iii
Application Of The Fisher Dimer Model To Dna Condensation, John C. Baker Iii
Theses and Dissertations
This paper considers the statistical mechanics occupation of the edge of a single helix of DNA by simple polymers. Using Fisher's exact closed form solution for dimers on a two-dimensional lattice, a one-dimensional lattice is created mathematically that is occupied by dimers, monomers, and holes. The free energy, entropy, average occupation, and total charge on the lattice are found through the usual statistical methods. The results demonstrate the charge inversion required for a DNA helix to undergo DNA condensation.
Nanopore Thermodynamics Via Infrared Laser Heating, Christopher Angevine
Nanopore Thermodynamics Via Infrared Laser Heating, Christopher Angevine
Theses and Dissertations
Single molecule nanopore spectroscopy is a label-free method for characterizing a wide variety of water-soluble molecules. Recently there have been efforts to expand nanopore sensing to new areas of study. Forensic investigators require an easy to deploy method to identify an unknown number of contributors in a solution. Currently there is no easily available method to distinguish between a single or multiple contributor solution of DNA before being processed by more advanced analytical techniques which has led to wasted time and resources increasing the backlog of samples waiting to be processed. In this work we present a new nanopore technique …
Quantitative Analysis And Process Of High Speed Live Cell Interferometry Measurements, Daniel Guest
Quantitative Analysis And Process Of High Speed Live Cell Interferometry Measurements, Daniel Guest
Theses and Dissertations
The application of auto focus, using an optical beam deflection technique, to existing live cell interferometry measurements was developed and examined. The benefit to relevant experiments, currently being performed, is shown as well as its performance across various magnifications. Enough information is given so that the system can be reproduced to fit any end users needs.
Tuning The Plasmonic Properties Of Silver Nanopatterns Fabricated By Shadow Nanosphere Lithography, Whitney Ingram, Yizhuo He, Keenan Stone, William M. Dennis, Dexian Ye, Yiping Zhao
Tuning The Plasmonic Properties Of Silver Nanopatterns Fabricated By Shadow Nanosphere Lithography, Whitney Ingram, Yizhuo He, Keenan Stone, William M. Dennis, Dexian Ye, Yiping Zhao
Physics Publications
Regular silver (Ag) nanopatterns, from disconnected nanotriangles to well coupled triangular clusters of nanoparticles, were prepared by shadow nanosphere lithography at different incident angles θ from 0 degrees to 20 degrees with continuous azimuthal rotation. The resulting nanopatterns were consistent with predictions by numerical calculations and Monte Carlo simulations of adatoms with high diffusivity. The visible localized surface plasmon resonance of these nanopatterns was tuned by θ systematically due to the change in size, shape, and arrangement of Ag nanopatterns. These resonances were consistent with finite-difference time-domain simulations using realistic nanopatterns based upon scanning electron micrographs. Such a simple fabrication …
Fabricating Superhydrophobic And Superoleophobic Surfaces With Multiscale Roughness Using Airbrush And Electrospray, Karam N. Almilaji
Fabricating Superhydrophobic And Superoleophobic Surfaces With Multiscale Roughness Using Airbrush And Electrospray, Karam N. Almilaji
Theses and Dissertations
Examples of superhydrophobic surfaces found in nature such as self-cleaning property of lotus leaf and walking on water ability of water strider have led to an extensive investigation in this area over the past few decades. When a water droplet rests on a textured surface, it may either form a liquid-solid-vapor composite interface by which the liquid droplet partially sits on air pockets or it may wet the surface in which the water replaces the trapped air depending on the surface roughness and the surface chemistry. Super water repellent surfaces have numerous applications in our daily life such as drag …
The Dawn Of New Quantum Dots: Synthesis And Characterization Of Ge1-Xsnx Nanocrystals For Tunable Bandgaps., Richard J. Esteves
The Dawn Of New Quantum Dots: Synthesis And Characterization Of Ge1-Xsnx Nanocrystals For Tunable Bandgaps., Richard J. Esteves
Theses and Dissertations
Ge1-xSnx alloys are among a small class of benign semiconductors with composition tunable bandgaps in the near-infrared spectrum. As the amount of Sn is increased the band energy decreases and a transition from indirect to direct band structure occurs. Hence, they are prime candidates for fabrication of Si-compatible electronic and photonic devices, field effect transistors, and novel charge storage device applications. Success has been achieved with the growth of Ge1-xSnx thin film alloys with Sn compositions up to 34%. However, the synthesis of nanocrystalline alloys has proven difficult due to larger discrepancies (~14%) in …
Drying Methods For The Fabrication Of Polymer Foam Material, Dalton Echard
Drying Methods For The Fabrication Of Polymer Foam Material, Dalton Echard
Theses and Dissertations
This is a report on the study of the drying of nanoporous polymer foam material fabricated by photolithogtaphic methods. Three drying methods were employed, which were air drying, supercritical drying and freeze drying. After fabrication and drying, physical properties of the polymer foams were measured. These measurements included density of the material, Young’s modulus, surface area, and the shape of the skeletal particles. The measurements determined the effect of the polymer concentration and the effect of drying methods. It was determined that polymer concentration had a much larger effect on the properties of the materials than the drying method.
Beyond Conventional C-Plane Gan-Based Light Emitting Diodes: A Systematic Exploration Of Leds On Semi-Polar Orientations, Morteza Monavarian
Beyond Conventional C-Plane Gan-Based Light Emitting Diodes: A Systematic Exploration Of Leds On Semi-Polar Orientations, Morteza Monavarian
Theses and Dissertations
Despite enormous efforts and investments, the efficiency of InGaN-based green and yellow-green light emitters remains relatively low, and that limits progress in developing full color display, laser diodes, and bright light sources for general lighting. The low efficiency of light emitting devices in the green-to-yellow spectral range, also known as the “Green Gap”, is considered a global concern in the LED industry. The polar c-plane orientation of GaN, which is the mainstay in the LED industry, suffers from polarization-induced separation of electrons and hole wavefunctions (also known as the “quantum confined Stark effect”) and low indium incorporation efficiency that …
Electronic Structure And Stability Of Ligated Superatoms And Bimetallic Clusters, William H. Blades
Electronic Structure And Stability Of Ligated Superatoms And Bimetallic Clusters, William H. Blades
Theses and Dissertations
Quantum confinement in small metal clusters leads to a bunching of states into electronic shells reminiscent of shells in atoms. The addition of ligands can tune the valence electron count and electron distribution in metal clusters. A combined experimental and theoretical study of the reactivity of methanol with AlnIm− clusters reveals that ligands can enhance the stability of clusters. In some cases the electronegative ligand may perturb the charge density of the metallic core generating active sites that can lead to the etching of the cluster. Also, an investigation is conducted to understand how the bonding …
Robert Gowdy On Ripples In Space-Time, Dan Gaitanis
Robert Gowdy On Ripples In Space-Time, Dan Gaitanis
AUCTUS: The Journal of Undergraduate Research and Creative Scholarship
In February, a team of scientists announced that they had detected the sound of two black holes, some billion light years away, and that it confirmed the last part of Albert Einstein’s “Theory of Relativity.” It was a very faint sound, picked up by two detectors in the United States.
T-Duality And Double Field Theory, Nicholas T. King
T-Duality And Double Field Theory, Nicholas T. King
Theses and Dissertations
The purpose of this thesis is to study a symmetry of string theory known as T-duality. We focus on a particular example establishing the equivalence between a quantized string moving in a circular space of radius R and a dual string moving in a similar space of radius 1/R . We will show that this duality implies that the momentum of the string in one picture becomes the number of times the string is wound around the circle in the dual picture. We present two proofs of T-duality. The first reflects the standard interpretation of T-duality as an isomorphism of …
Cluster Enhanced Nanopore Spectrometry, Amy Chavis
Cluster Enhanced Nanopore Spectrometry, Amy Chavis
Theses and Dissertations
Nanopore sensing is a label-free method used to characterize water-soluble molecules. Recent work describes how Au25(SG)18 clusters improve the single molecule nanopore spectrometry (SMNS) technique when analyzing polyethylene glycol (PEG). This thesis will further study and optimize the enhancement effect resulting from a cluster’s presence. Additionally, a model describing the interaction between a cluster and PEG is developed to assist in understanding this mechanism of enhancement. This thesis will also discuss expanding the SMNS method to detect peptides, using Au25(SG)18 for enhancement, and adjusting solution conditions to improve the sensitivity of the SMNS system …
Time-Resolved Photoluminescence Studies Of Point Defects In Gan, Joy Dorene Mcnamara
Time-Resolved Photoluminescence Studies Of Point Defects In Gan, Joy Dorene Mcnamara
Theses and Dissertations
Time-resolved photoluminescence (TRPL) measurements paired with steady-state photoluminescence (SSPL) measurements can help to determine the PL lifetime, shape and position of unresolved bands, capture coefficients, and concentrations of free electrons and defects.PL bands that are obscured in the SSPL spectra can be accurately revealed by TRPL measurements. TRPL measurements are able to show if the PL band originates from an internal transition between different states of the same defect. The main defect-related PL bands in high-purity GaN grown by hydride vapor phase epitaxy (HVPE) which have been investigated are the ultraviolet, blue, green, yellow and red luminescence bands (UVL, BL, …
Non-Conventional Approaches To Syntheses Of Ferromagnetic Nanomaterials, Dustin M. Clifford
Non-Conventional Approaches To Syntheses Of Ferromagnetic Nanomaterials, Dustin M. Clifford
Theses and Dissertations
The work of this dissertation is centered on two non-conventional synthetic approaches to ferromagnetic nanomaterials: high-throughput experimentation (HTE) (polyol process) and continuous flow (CF) synthesis (aqueous reduction and the polyol process). HTE was performed to investigate phase control between FexCo1-x and Co3-xFexOy. Exploration of synthesis limitations based on magnetic properties was achieved by reproducing Ms=210 emu/g. Morphological control of FexCo1-x alloy was achieved by formation of linear chains using an Hext. The final study of the FexCo1-x chains used DoE to …
Understanding And Design Of An Arduino-Based Pid Controller, Dinesh Bista
Understanding And Design Of An Arduino-Based Pid Controller, Dinesh Bista
Theses and Dissertations
This thesis presents research and design of a Proportional, Integral, and Derivative (PID) controller that uses a microcontroller (Arduino) platform. The research part discusses the structure of a PID algorithm with some motivating work already performed with the Arduino-based PID controller from various fields. An inexpensive Arduino-based PID controller designed in the laboratory to control the temperature, consists of hardware parts: Arduino UNO, thermoelectric cooler, and electronic components while the software portion includes C/C++ programming. The PID parameters for a particular controller are found manually. The role of different PID parameters is discussed with the subsequent comparison between different modes …
Using Graphene To Control Magnetic Anisotropy And Interaction Between Supported Clusters, Sanjubala Sahoo, M Fhokrul Islam, Shiv N. Khanna
Using Graphene To Control Magnetic Anisotropy And Interaction Between Supported Clusters, Sanjubala Sahoo, M Fhokrul Islam, Shiv N. Khanna
Physics Publications
Stabilization of magnetic order in clusters/nanoparticles at elevated temperatures is a fundamentally challenging problem. The magnetic anisotropy energy (MAE) that prevents the thermal fluctuations of the magnetization direction can be around 1–10 K in free transition metal clusters of around a dozen atoms. Here we demonstrate that a graphene support can lead to an order of magnitude enhancement in the anisotropy of supported species. Our studies show that the MAE of supported Co5 and Co13 clusters on graphene increase by factors of 2.6 and 25, respectively. The enhancement is linked to the splitting of selected electronic orbitals that leads to …