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Missouri University of Science and Technology

Chemistry Faculty Research & Creative Works

2005

Articles 1 - 16 of 16

Full-Text Articles in Physical Sciences and Mathematics

Neutron And Nuclear Inelastic Scattering Study Of The Einstein Oscillators In Ba-, Sr-, And Eu-Filled Germanium Clathrates, Raphaël P. Hermann, Werner Schweika, Olaf Leupold, Rudolf Rüffer, George S. Nolas, Fernande Grandjean, Gary J. Long Nov 2005

Neutron And Nuclear Inelastic Scattering Study Of The Einstein Oscillators In Ba-, Sr-, And Eu-Filled Germanium Clathrates, Raphaël P. Hermann, Werner Schweika, Olaf Leupold, Rudolf Rüffer, George S. Nolas, Fernande Grandjean, Gary J. Long

Chemistry Faculty Research & Creative Works

Inelastic neutron scattering measurements on Ba8Ga16Ge30 and Sr8Ga16Ge30 indicate the presence of soft local modes with Einstein oscillator energies of 4.9±0.1 and 4.4±0.1meV, modes which are associated with the lowest “rattling” mode of the Ba(B) and Sr(B) guests, respectively. Nuclear inelastic scattering measurements on Eu8Ga16Ge30 yield Einstein oscillator energies of between 3.0±0.3 and 7.5±1.2meV for the different modes of the Eu guests. Further, the resonant character of the measurements on Eu8Ga16Ge30 reveals, without question, that neither of the Eu guests …

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Bimetallic Pt-Ag And Pd-Ag Nanoparticles, Frank D. Blum, Akira Tokuhiro, Massimo F. Bertino, Carmen M. Doudna Apr 2005

Bimetallic Pt-Ag And Pd-Ag Nanoparticles, Frank D. Blum, Akira Tokuhiro, Massimo F. Bertino, Carmen M. Doudna

Chemistry Faculty Research & Creative Works

We report studies of bimetallic nanoparticles with 15%-16% atomic crystal parameters size mismatch. The degree of alloying was probed in a 2-nm Pt core (smallest attainable core size) of Pt-Ag nanoparticles (completely immiscible in bulk) and 20-nm-diameter Pd-Ag nanowires (completely miscible in bulk). Particles were synthesized radiolytically, and depending on the initial parameters, they assume spherical or cylindrical (nanowire) morphologies. In all cases, the metals are seen to follow their bulk alloying characteristics. Pt and Ag segregate in both spherical and wire forms, which indicates that strain due to crystallographic mismatch overcomes the excess surface free energy in the small …

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How To Choose One-Dimensional Basis Functions So That A Very Efficient Multidimensional Basis May Be Extracted From A Direct Product Of The One-Dimensional Functions: Energy Levels Of Coupled Systems With As Many As 16 Coordinates, Richard Dawes, Tucker Carrington Jr. Apr 2005

How To Choose One-Dimensional Basis Functions So That A Very Efficient Multidimensional Basis May Be Extracted From A Direct Product Of The One-Dimensional Functions: Energy Levels Of Coupled Systems With As Many As 16 Coordinates, Richard Dawes, Tucker Carrington Jr.

Chemistry Faculty Research & Creative Works

In this paper we propose a scheme for choosing basis functions for quantum dynamics calculations. Direct product bases are frequently used. The number of direct product functions required to converge a spectrum, compute a rate constant, etc., is so large that direct product calculations are impossible for molecules or reacting systems with more than four atoms. It is common to extract a smaller working basis from a huge direct product basis by removing some of the product functions. We advocate a build and prune strategy of this type. the one-dimensional (1D) functions from which we build the direct product basis …

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Strongly Decoupled Europium And Iron Vibrational Modes In Filled Skutterudites, Gary J. Long, Raphäel P. Hermann, Fernande Grandjean, Ercan E. Alp, Wolfgang Sturhahn, Charles E. Johnson, Dennis E. Brown, Olaf Leupold, Rudolf Rüffer Apr 2005

Strongly Decoupled Europium And Iron Vibrational Modes In Filled Skutterudites, Gary J. Long, Raphäel P. Hermann, Fernande Grandjean, Ercan E. Alp, Wolfgang Sturhahn, Charles E. Johnson, Dennis E. Brown, Olaf Leupold, Rudolf Rüffer

Chemistry Faculty Research & Creative Works

The europium partial vibrational density of states (DOS) in EuFe4Sb12 and the iron partial vibrational DOS in both EuFe4Sb12 and Ce57Fe4Sb12 have been obtained by nuclear inelastic scattering. The results reveal the strong independence of the iron and rare-earth vibrational modes. The cage filling europium only participates significantly to the low-energy local vibrational modes. The force constants have been obtained from the measured probability of nuclear absorption. The energies of the peaks in the europium and iron DOS are in excellent agreement with the calculated DOS in LaFe4 …

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Synthesis Of Gold Nanoparticles Attached To Polypyrrole Nanofibers, Sunil K. Pillalamarri, Frank D. Blum, Massimo F. Bertino Jan 2005

Synthesis Of Gold Nanoparticles Attached To Polypyrrole Nanofibers, Sunil K. Pillalamarri, Frank D. Blum, Massimo F. Bertino

Chemistry Faculty Research & Creative Works

Polypyrrole is a frequently studied conducting polymer due to its application in sensing and catalysis.1 Polypyrrole is considered among the most promising conductive polymers due to its stability and ease of conversion between conducting and insulating forms.2 Different chemical and electrochemical methods are generally used in the synthesis of polypyrrole.2 Despite many interesting applications, the use of polypyrrole is limited because of difficulty in processing it. Several approaches have been explored to improve the ability to process polypyrrole, including the use of emulsion, inverse emulsion, steric stabilizer, and microemulsion methods.1 Several reports have also been published on the synthesis of …

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Fourier Transform Infrared Analysis Of Hydroxyl Content Of Hydrothermally Processed Heteroepitaxial Barium Titanate Films, Sandeep K. Patil, Nipun Shah, Frank D. Blum, M. N. Rahaman Jan 2005

Fourier Transform Infrared Analysis Of Hydroxyl Content Of Hydrothermally Processed Heteroepitaxial Barium Titanate Films, Sandeep K. Patil, Nipun Shah, Frank D. Blum, M. N. Rahaman

Chemistry Faculty Research & Creative Works

The concentration of hydroxyl (-OH) groups in epitaxial barium titanate (BaTiO3) films (thickness ≈ 200 nm), deposited on single-crystal strontium titanate (SrTiO3) at 150 °C by a hydrothermal technique, was investigated using x-ray photoelectron spectroscopy and Fourier transform infrared (FTIR) spectroscopy. After hydrothermal treatment, a broad FTIR resonance for the hydroxyl groups indicated a significant concentration of surface -OH groups in the films. The as-deposited films were subsequently treated hydrothermally with D2O, and the kinetics of the exchange reaction between -OH incorporated into the film and -OD from the D2O were studied using FTIR. For reactions carried out intermittently, the …

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Effect Of Phosphoric Acid Anion Structure On The Corrosion Inhibition Of Steel By Polyaniline, Yasir Idlibi, Thomas P. Schuman, James O. Stoffer Jan 2005

Effect Of Phosphoric Acid Anion Structure On The Corrosion Inhibition Of Steel By Polyaniline, Yasir Idlibi, Thomas P. Schuman, James O. Stoffer

Chemistry Faculty Research & Creative Works

Conductive polymers such as polyaniline (PAni) have been examined as candidates for replacing the existing chromate systems. Protonation of emeraldine base creates polarons and bipolarons, single and paired radical cations, respectively, of higher bond energy levels within the molecular orbital band gap.' For a conductive coating, considerable delocalization of corrosion charge and potential may be obtained along or between the polymer chains, because of high electron mobility. Current corrosion systems based on polyaniline typically rely on sulfuric or sulfonic acids as a dopant material, since synthetic techniques utilize persulfates as the oxidant of choice. In our experience, sulfonic/sulfuric acid systems …

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An Hmm-Based Framework For Video Semantic Analysis, Gu Xu, Yu-Fei Ma, Hong-Jiang Zhang, Shiqiang Yang Jan 2005

An Hmm-Based Framework For Video Semantic Analysis, Gu Xu, Yu-Fei Ma, Hong-Jiang Zhang, Shiqiang Yang

Chemistry Faculty Research & Creative Works

Video semantic analysis is essential in video indexing and structuring. However, due to the lack of robust and generic algorithms, most of the existing works on semantic analysis are limited to specific domains. In this paper, we present a novel hidden Markove model (HMM)-based framework as a general solution to video semantic analysis. In the proposed framework, semantics in different granularities are mapped to a hierarchical model space, which is composed of detectors and connectors. In this manner, our model decomposes a complex analysis problem into simpler subproblems during the training process and automatically integrates those subproblems for recognition. The …

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Deuterium Nmr Studies Of Segmental Dynamics Of Anopore-Adsorbed Poly(Methyl Acrylate), Macduff O. Okuom, Frank D. Blum Jan 2005

Deuterium Nmr Studies Of Segmental Dynamics Of Anopore-Adsorbed Poly(Methyl Acrylate), Macduff O. Okuom, Frank D. Blum

Chemistry Faculty Research & Creative Works

Studies of segmental dynamics of polymers at interfaces provide a basis for understanding the properties of composite materials. Interfacial phenomena in multi-phase systems need to be understood as devices made from multi-phase polymeric systems become smaller. Various techniques have been used to investigate interfacial polymers at the air-polymer-solid interface; for example, ellipsometry,1 X-ray,2 and neutron reflectometry.3 These techniques typically characterize the structure (often the thickness) of the polymer layer and are normally used to determine the glass-transition temperature (Tg) through a break in the thicknesstemperature curve. There have been a few reports where the dynamics of polymers at the surface-air …

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Estimation Of Bound Carbonyls In Pmma-R-Ps Copolymers Adsorbed On Silica, Pavan K. Challa, Bing Zhang, Frank D. Blum Jan 2005

Estimation Of Bound Carbonyls In Pmma-R-Ps Copolymers Adsorbed On Silica, Pavan K. Challa, Bing Zhang, Frank D. Blum

Chemistry Faculty Research & Creative Works

The adsorption of random copolymers on solid surfaces is essential for developing good properties in composite materials. A good control and understanding of interfaces allows tuning of the properties of the individual components. Interfacial polymers are important in many industrial applications such as photoresists, protective coatings, metal insulator and semi-conductor insulator junctions, metal-filled polymer composites and polymer-lined metal containers for protective food packaging. The effect of the drying process,1 configuration and tacticity,2 molecular mass, density of surface hydroxyls,3 and adsorbed amounts4 have already been studied for interfacial polymers. The thermal characterization for polystyrene,5 PMMA11 and PMMA-r- PS6 copolymers adsorbed on …

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Magnetic Properties Of (Γ-Fe₂O₃)₈₀Ag₂₀ Nanocomposites Prepared In Reverse Micelles, Joan A. Wiemann, Jianbiao Dai, Jinke Tang, Gary J. Long, Leonard Spinu Jan 2005

Magnetic Properties Of (Γ-Fe₂O₃)₈₀Ag₂₀ Nanocomposites Prepared In Reverse Micelles, Joan A. Wiemann, Jianbiao Dai, Jinke Tang, Gary J. Long, Leonard Spinu

Chemistry Faculty Research & Creative Works

The magnetic properties of nanoparticles of gamma-Fe2O3 prepared by reverse micelles have been studied by dc magnetization, transverse ac susceptibility, and Mössbauer spectroscopy. The nanoparticles of gamma-Fe2O3 in the nanocomposite (gamma-Fe2O3)80Ag20 exhibit superparamagnetic behavior. The blocking temperatures determined by the three methods indicate the superparamagnetic nature of (gamma-Fe2O3)80Ag20 above 70-80 K and show correlation with measuring time. The average particle diameter obtained by transmission electron microscopy of the gamma-Fe2O3 particles is ~10 nm and that of the Ag particles is ~20 nm. The average particle size determined from the magnetic analyses for the gamma-Fe2O3 particles is ~12 nm. Mössbauer spectra …

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Nmr And Modulated Differential Scanning Calorimetry Of Adsorbed Poly(Methyl Acrylate) On Silica, Frank D. Blum, Burak Metin Jan 2005

Nmr And Modulated Differential Scanning Calorimetry Of Adsorbed Poly(Methyl Acrylate) On Silica, Frank D. Blum, Burak Metin

Chemistry Faculty Research & Creative Works

The interaction between polymers and solid substrates can be studied by a variety of techniques. The results from different experiments can be affected by the nature of the polymer, surface, polymer-surface interactions and, also, the experiment. A great deal has been learned about the behavior of polymers at interfaces, but there is also much to be learned about the interactions and how they affect the physical properties of adsorbed polymers. In the present study, we report both deuterium nuclear magnetic resonance (NMR) and modulated differential scanning calorimetry (MDSC) of poly(methyl acrylate) (PMA) adsorbed on Cab-O-Sil silica. The focus of this …

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Segmental Dynamics In Poly(Methyl Acrylate)-D3 On Strongly And Weakly Adsorbing Silica Surfaces, Burak Metin, Frank D. Blum Jan 2005

Segmental Dynamics In Poly(Methyl Acrylate)-D3 On Strongly And Weakly Adsorbing Silica Surfaces, Burak Metin, Frank D. Blum

Chemistry Faculty Research & Creative Works

The segmental dynamics of a polymer on a solid surface appears to be significantly different than that in bulk. The strength of the interaction between polymer segments and a solid surface is likely to be an important factor affecting the segmental mobility of the polymers. Studies of polymers on a weakly adsorbing surface would provide additional understanding of their motional characteristics on surfaces. In a recent NMR study by Rivillon et al., chain dynamics was seen to be different for samples, even when there was no specific interaction with the surface. Peanasky et al. have found a restricted segmental dynamics …

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Synthesis And Electropolymerization Of 2-(3-Thienylethyl)-3-Thiopheneacetate, Nicholas Leventis, Chariklia Sotiriou-Leventis, Sudhir Mulik, Amala Dass Jan 2005

Synthesis And Electropolymerization Of 2-(3-Thienylethyl)-3-Thiopheneacetate, Nicholas Leventis, Chariklia Sotiriou-Leventis, Sudhir Mulik, Amala Dass

Chemistry Faculty Research & Creative Works

Conducting polymers offer great promise in the development of electronic devices, displays and sensors. In that regard, biomolecules can be attached to these polymers via functional groups, but the presence of such groups oftentimes hinders polymerization.1-3 One strategy is to polymerize a functionalized monomer precursor of a conducting polymer, followed by reaction of the dangling functional groups of the polymer with appropriately functionalized labels. An attractive functionalized thiophene for that purpose is 3-thienylethanol. Unfortunately, however, this monomer is not polymerizable.1,2 Thus, 3-thienylethanol has been esterified, followed by co-polymerization with 3-methylthiophene (3-MT), and subsequent hydrolysis of the ester to the free …

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Effect Of Plasticizer On Pvac-D3 Dynamics Using 2h Solid-State Nmr, Rakesh R. Nambiar, Frank D. Blum Jan 2005

Effect Of Plasticizer On Pvac-D3 Dynamics Using 2h Solid-State Nmr, Rakesh R. Nambiar, Frank D. Blum

Chemistry Faculty Research & Creative Works

Poly(vinyl acetate) (PVAc) is an important polymer for use in many applications due to its various bulk and surface characteristics. The structure of poly(vinyl acetate) results in a relatively low glass transition temperature (Tg) and makes it important for processing and applications such as paints, adhesives, thin films and surface coatings. Poly(vinyl acetate) can also be easily plasticized, widening its range of applications. The term "plasticizer" refers to a species that will decrease Tg of a polymer.1 Polymer-plasticizer systems have been studied for years and continue to be of current interest. The effects of polymer-plasticizer interactions2 and plasticizer structure3 on …

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Copolymers And Blends Of Methyl Acrylate And Acrylic Isobutyl Poss Nanomaterials, Manikantan B. Nair, Frank D. Blum Jan 2005

Copolymers And Blends Of Methyl Acrylate And Acrylic Isobutyl Poss Nanomaterials, Manikantan B. Nair, Frank D. Blum

Chemistry Faculty Research & Creative Works

Ultra-thin polymer films attached to solid substrates (supported films) have attracted significant interest in recent years. Supported films are used in the design of advanced materials like photoresists, lubricants and other electronic devices. Glass transition temperatures (Tgs) of supported polymer films have also been of significant interest. The Tg has been shown to depend on the thickness of the polymer film on the surface and the inherent nature of the surface. The effect of end-grafting of a polymer chain to a surface, on the Tg of the polymer has been studied previously.1 Reports on the study of glass transition behaviors …

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