Neutron scattering and computational studies of hydrogen in palladium and in yttrium by Mark Wilson McKergow

Cover of: Neutron scattering and computational studies of hydrogen in palladium and in yttrium | Mark Wilson McKergow

Published by University of Birmingham in Birmingham .

Written in English

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Thesis (Ph.D.) - University of Birmingham, Dept of Physics, 1988.

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Statementby Mark Wilson McKergow.
ID Numbers
Open LibraryOL13902525M

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2 days ago  Proton dynamics in Pd77Ag23 membranes is investigated by means of various neutron spectroscopic techniques, namely Quasi Elastic Neutron Scattering, Incoherent Inelastic Neutron Scattering, Neutron Transmission, and Deep Inelastic Neutron Scattering. Measurements carried out at the ISIS spallation neutron source using OSIRIS, MARI and VESUVIO spectrometers were.

The adsorption and absorption of hydrogen on Raney palladium has been studied by inelastic neutron scattering and by volumetry.

At low hydrogen pressure (2 mbar) several species are observed by neutron scattering: hydrogen adsorbed on a three-coordinated site, subsurface species and also the - and -hydrides.

At hig. The incoherent inelastic neutron scattering (i.n.s.) spectra of hydrogen strongly chemisorbed on Pd black (Drijfhout, Amsterdam) have been obtained (77 K) without interference from absorbed or type-C adsorbed spectra were assigned by comparison.

Recent incoherent inelastic neutron scattering studies of hydrogen and hydrogenous molecules adsorbed on high-surface-area catalytic materials such as palladium and platinum black, Raney nickel. Incoherent inelastic neutron scattering has been used to investigate the interaction of hydrogen with palladium black (a high-surface-area Pd powder).

Vibrational spectra of chemisorbed hydrogen have been measured in the energy range 30– meV at 80 and by: Although neutron scattering has been extensively used to study the interactions of hydrogen‐containing species with bulk metallic materials, such as Raney nickel, Raney palladium, palladium black, and platinum black, many catalysts of practical interest consist of an active metal (typically a noble metal) deposited on a support.

These. This book provides a comprehensive overview of the main nuclear characterization techniques used to study hydrogen absorption and desorption in materials. The various techniques (neutron scattering, nuclear magnetic resonance, ion-beams, positron annihilation spectroscopy) are explained in detail.

The various techniques (neutron scattering, nuclear magnetic resonance, ion-beams, positron annihilation spectroscopy) are explained in detail, and a variety of examples of recent research projects are given to show the unique advantage of these techniques to study hydrogen in materials.

The vibrational Raman and infrared spectra of coronene, graphite and carbon have been ly Papanek et al. in a neutron scattering study of disordered carbon anode materials reported the INS spectrum of coronene. For single crystal hexagonal graphite (space group D 6h 4) there is a Raman peak at ca cm −1, the so-called G-mode (E 2g, in-phase stretching and shrinking of.

Neutron Scattering and Spectroscopic Studies of Hydrogen a substantial body of recent computational work has been devoted to identifying potential candidate materials The microporous metal organic framework Cr 3 hydrogen molecule, the para ortho transition is usually asso.

Neutrons are often unique among scattering probes in their interaction with materials: for example, the relative visibility of hydrogen and its isotopes is a great advantage in the study of.

Cite this chapter as: Ross D.K. () Neutron scattering studies of metal hydrogen systems. In: Wipf H.

(eds) Hydrogen in Metals III. Topics in Applied Physics, vol Neutron scattering, the irregular dispersal of free neutrons by matter, can refer to either the naturally occurring physical process itself or to the man-made experimental techniques that use the natural process for investigating materials.

The natural/physical phenomenon is of elemental importance in nuclear engineering and the nuclear sciences. Regarding the experimental technique. DOE Hydrogen Program.

FY Annual Progress Report. Neutron scattering aided studies of the design, synthesis and thermo-dynamics of molecular hydrogen adsorption materials. Larese †*, Lillian Frazier*, Thomas Arnold †, Michael Farinelli *, Michael Hu †, David Beach †, A.J.

Ramirez-Cuesta +, and R.J. Hinde * † Oak Ridge. Neutron Scattering Studies of LaNi₅-D (E M A Gray & E H Kisi) Proton Insertion in Electrodes Studied by Neutron Powder Diffraction (J Pannetier) The Dynamics of Hydrogen in Metals Studied by Inelastic Neutron Scattering (I Anderson).

The usefulness of neutron scattering arises from the properties of the neutron, which is an uncharged particle of mass amu (almost the same as the hydrogen atom 1 H, ) with a magnetic moment.

Neutrons are scattered by the atomic nuclei of the sample and, since the nucleus of an atom is only ∼% of the diameter of the atom, to a neutron most of a material is empty space. techniques used to study hydrogen absorption and desorption in materials.

The various techniques (neutron scattering, nuclear magnetic resonance, ion-beams, positron annihilation spectroscopy) are explained in detail, and a variety of examples of recent research projects are given to show the unique advantage of these techniques to study.

Inelastic neutron scattering study of reline: wide range of hydrogen bonds, from soft contacts to stron ger associations, the latter being responsible for the the most relevant computational studies on DES.

Since then, an ab initio study by Ashworth and colleagues15 explored the many. I, Ian Robinson, declare that this thesis titled, ‘Computational Studies of Hydrogen in Palladium’ and the work presented in it are my own.

I confirm that: This work was done wholly or mainly while in candidature for a research degree at this University. Where any part of this thesis has previously been submitted for a degree or any.

Incoherent quasi-elastic neutron scattering (IQENS) and Fourier-transform infrared (FT-IR) absorption measurements have been employed to investigate the diffusional and vibrational dynamics on water confined in a NaA zeolitic matrix.

In analogy with the results of a recent quasi-elastic neutron scattering experiment on water confined in a sol−gel silica glass (GelSil), reported in the.

Neutron scattering of hydrogen nuclei is both coherent and incoherent, Coherent scattering leads to diffraction phenomena from which the position of the hydrogen and hydrogen in FdH., as and 8, respectively and Bergsma Goedkoop (8) found values for these same quantities of and A in PdH.

From incoherent. The application of neutron scattering to polymers provides information which cannot be obtained by other techniques and has allowed progress in our understanding of polymer conformation in the bulk.

This book presents examples which are needed to understand how these techniques can be applied. This situation arises in practice since deuteration of liquids is often 99% or less. A combined experimental and extensive computational study of static thermal neutron scattering of 1,4-dioxane demonstrates the foregoing.

We show, through simulations, that the reason for the differences is the content of protiated dioxane (vendors quote 1%). The inelastic neutron scattering spectra of hydrogen adsorbed on platinum is reported and analyzed. (AIP) Study of hydrogen adsorbed on platinum by neutron inelastic scattering spectroscopy: The Journal of Chemical Physics: No 9.

The diffusion dynamics of hydrogen in bulk and Nanocrystalline palladium has been examined using quasielastic neutron scattering (QENS). With respect to bulk PdHtwo relaxation processes were found.

For both processes, the variation of the relaxation times with momentum transfer was well reproduced by a model of jump diffusion between.

Our neutron diffraction results on powdered α phase gold–palladium–hydrogen and gold–palladium–deuterium samples show that both hydrogen and deuterium are located in the octahedral positions of the f.c.c.

metal lattice. It seems reasonable to assume that the same positions are occupied in the α phase of Pd–H. Neutron Scattering Investigations of Hydride Species in Heterogeneous Catalysis Felipe Polo-Garzon,[a] Si Luo,[a] Yongqiang Cheng,[b] Katharine L.

Page,[b] z-Cuesta,[b] Phillip F. Britt,[a] and Zili Wu*[a] 1. Introduction Hydrideisacompound with one or more anionic hydrogen. 2 days ago  Convenient and efficient routes to construct hybrid molecules containing diterpene alkaloid lappaconitine and pyrimidine fragments are reported.

One route takes place via first converting of lappaconitine to 1-ethynyl-lappaconitine, followed by the Sonogashira cross-coupling-cyclocondensation sequences.

The other involves the palladium-catalyzed carbonylative Sonogashira reaction of. Following along the same lines of characterizing materials with low atomic number atoms and the ability to probe hydrogen-containing matter, neutron scattering applications in biology is particularly notable.

Since many biological specimens and elements such as proteins contain hydrogen and other low atomic number atoms, the use of neutron. The detailed hydrogen loading characteristics of Cr 3 (BTC) 2 have been probed using both neutron powder diffraction and inelastic neutron scattering experiments, revealing that the Cr 2+ site is only partially populated until a marked elongation of the Cr-Cr internuclear distance occurs at a loading of greater than D 2 per Cr 2+ site.

-- Neutron scattering lengths vary "wildly" with atomic number and are independent of momentum transfer Q. This is used to advantage in deuterium labeling using the fact that the scattering lengths for hydrogen and deuterium are widely different (b H = * cm and b D = * cm respectively).

The negative sign in front of b. A holographic image of the atomic arrangement in a PdH single crystal was recorded using spherical neutron waves generated by incoherent neutron-proton scattering (“internal source concept”).

The resolution is sufficient to show the positions of single atomic nuclei on their respective lattice sites despite the delocalization of protons due to the weak bonding of hydrogen dissolved in. 2 physisorption for potential hydrogen storage applications.

Thus neutron scattering has been used extensively to study the rotational dynamics of H 2 in a variety of materials including carbon nanotubes, C 60 23, nanoporous Ni phosphates24, and zeolites25, Metal-organic framework (MOF) materials are comprised of.

The inelastic-neutron-scattering cross section of (J=1) solid hydrogen is studied and the experimental data of Stein and co-workers analyzed. The rms displacement u2 1/2 is deduced from the data via different methods and mutually consistent values of order Å are obtained.

The enhancement of the cross section at the libron energy due to libron-phonon interactions is found to be the same. The various techniques (neutron scattering, nuclear magnetic resonance, ion-beams, perturbed angular correlation, muon spin rotation) are explained in detail and a variety of examples of recent research projects are given to show the unique advantage of these techniques to study hydrogen in materials.

INELASTIC NEUTRON SCATTERING AS A PROBE OF THE STATES OF HYDROGEN IN CARBON MATERIALS Craig M. Brown, Indiana University Cyclotron Facility, Indiana University, Bloomington, IN and NIST Center for Neutron Research, Bureau Dr., Gaithersburg, MD @article{osti_, title = {Neutron Compton Scattering as a Probe of Hydrogen Bonded (and other) Systems}, author = {Reiter, George}, abstractNote = {One of the two major themes of the proposal was to study quantum coherence in stressed hydrogen bond networks.

Our experiments on double wall carbon nanotubes and two versions of Nafion, together with earlier work on water confined in xerogel.

Collaborators at the Department of Energy's Oak Ridge National Laboratory and U.S. universities used neutron scattering and other advanced characterization techniques to study how a. Low-Energy Neutron Scattering from Hydrogen Chloride* N.

LURIEt AND J. CARPENTER Departmlmt of Nuclear Engineering, The University of Michigan, Ann Arbor, Michigan (Received 8 January ) Measured double differential cross sections are reported for low-energy neutron scattering by gaseous hydrogen chloride.

The neutron scattering from hydrogen in polythene has been measured with the direct time-of flight spectrometer, MARI, at the ISIS facility of the Rutherford Appleton Laboratory with incident neutron energies between eV and eV.

The results of experiments using the spectrometer, VESUVIO, have given intensities from hydrogen containing materials that were about 60% of the intensity. INELASTIC NEUTRON SCATTERING AND NEUTRON DIFFRACTION STUDIES OF GAS HYDRATES by Kimberly Terri Tait _____ A Dissertation Submitted to the Faculty of the DEPARTMENT OF GEOSCIENCES In Partial Fulfillment of the Requirements For the Degree of DOCTOR OF PHILOSOPHY In the Graduate College THE UNIVERSITY OF ARIZONA Inelastic neutron scattering study of hydrogen in d 8-THF/D 2O ice clathrate Kimberly T.

Tait,a Frans Trouw,b and Yusheng Zhao Manuel Lujan Jr. Neutron Scattering Center, Los Alamos National Laboratory, Los Alamos, New MexicoUSA Craig M. Brown Indiana University Cyclotron Facility, Indiana University, Bloomington, IndianaUSA.

The exercise gives you the scattering kernel for neutrons in a gas of free hydrogen and it asks to computer various things. (The scattering kernel is computer for "thermal values" of energy) At the end I found the probability that a neutron of energy E=kT is up-scattered is about

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