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Monday, July 27, 2020 | History

2 edition of Quantum dynamical model of desorption processes of atom from surface found in the catalog.

Quantum dynamical model of desorption processes of atom from surface

CzesЕ‚aw JeМЁdrzejek

Quantum dynamical model of desorption processes of atom from surface

by CzesЕ‚aw JeМЁdrzejek

  • 141 Want to read
  • 21 Currently reading

Published by Nakładem Uniwersytetu Jagiellońskiego in Kraków .
Written in English

    Subjects:
  • Thermal desorption -- Mathematical models.,
  • Quantum theory -- Mathematical models.

  • Edition Notes

    Includes bibliographical references.

    StatementCzesław Jędrzejek.
    SeriesRozprawy habilitacyjne / Uniwersytet Jagielloński ;, nr. 84, Rozprawy habilitacyjne (Uniwersytet Jagielloński) ;, nr. 84.
    Classifications
    LC ClassificationsQD506 .J43 1984
    The Physical Object
    Pagination121 p. :
    Number of Pages121
    ID Numbers
    Open LibraryOL2603561M
    LC Control Number85162067

      Description; Chapters; Supplementary; Adsorption is the basis of various emerging technologies that will be essential for addressing the problems of technologies that will be essential for addressing the problems of energy conservation and environmental protection. Microscopic reversibility in ad/desorption phenomena The influence of individual degrees of freedom on adsorption and desorption Energy exchange PES topography and the relative efficacy of energetic components Translations, corrugation, surface atom motions Effects on adsorption

    Latest advances in atomic cluster collisions: structure and dynamics from the nuclear to the biological scale by ISACC () 6 editions published in in English and held by 1, WorldCat member libraries worldwide. Publications pre Papers published in refereed journals. Two-dimensional surrogate Hamiltonian investigation of laser induced desorption of NO/NiO(). J. Chem. Phys. , (). Dissipative quantum dynamics with the Surrogate Hamiltonian approach.

    The lattice model of random walk has been used to analyze the adsorption-desorption behavior of an infinitely long homo-polymer molecule on a sequentially tiled substrate in three dimensions. The lattice model for the Gaussian chain and directed self-avoiding chain has been solved analytically. The capture of a Ne atom by a superfluid helium nanodroplet, Ne + (4 He) N → [email protected](4 He) N′ + (N − N′) 4 He, was studied using a hybrid quantum (helium)–classical (Ne) approach and taking into account the angular atom is captured by (4 He) N and follows elliptical rotating trajectories, and large energy and angular momentum transfer from the atom to the nanodroplet occur.


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Quantum dynamical model of desorption processes of atom from surface by CzesЕ‚aw JeМЁdrzejek Download PDF EPUB FB2

Quantum Dynamical Approach to Ultrafast Molecular Desorption from Surfaces Peter Saalfrank Theoretische Chemie, Institut für Chemie, Universität Potsdam, Karl-Liebknecht-StrasseD Potsdam-Golm, GermanyCited by: We present electronic and nuclear quantum model simulations for the direct, laser-induced charge transfer from a Cu() surface state to an unoccupied resonance state of an adsorbed Cs atom, and.

Theory of Surface Dynamical Processes with Gas-Solid Electron Transfer. Tsukada, N. Shima. Density-Functional Studies of the Atom-Surface Interaction and the Ionization Probability of Sputtered Atoms. Lang. The Lattice Gas Model of Surface Ordering.

Junjiro Kanamori. Pages Electronic Structure of Metal Overlayers on Si. We present quantum dynamical calculations for the inelastic scattering of atoms at a nonrigid surface at finite temperature.

The surface degrees of freedom are discretized and treated in a. Good model systems are required in order to understand crystal growth processes because, in many cases, precise incorporation processes of atoms or molecules cannot be visualized easily at the atomic or molecular level.

Using a transmission-type optical microscope, we have successfully observed in situ adsorption, desorption, surface diffusion, lattice defect formation, and kink incorporation Author: Yoshihisa Suzuki, Yoshiaki Hattori, Jun Nozawa, Satoshi Uda, Akiko Toyotama, Junpei Yamanaka.

/ronniekosloff/ LIST OF PUBLICATIOS [pdf] 1 R. Kosloff, R. Levine and R. Bernstein, Thermodynamic functions of Molecular Hydrogen from ab Initio Energy Levels, Mol.

Phys., 27, (). [pdf] 2 R. Levine and R. Kosloff, The Well-Reasoned Choice: An Information-Theoretic Approach to Branching Ratios in Molecular Rate Processes, Chem. Phys. Lett., 28, (). tial energy surface of Jackson and coworkers [23,24]in a quantum study of collision induced processes involv-ing hydrogen atoms.

In Sect. we consider the case in which the target hydrogen atom is chemisorbed on graphite, focusing on the quantum effects we found in Eley-Rideal and collision induced desorption (CID) cross–sections [25,26]. The quantum, nonthermic photon-driven adsorption, desorption and reactions are proved to exist for all studied oxides.

These processes are site-sensitive and spectrally selective. The kinetic model of interaction of gas (photoadsorption) or adsorbed (photodesorption) molecules with photogenerated local centers is by: While much of traditional surface science has been concerned with equilibrium properties and simple kinetics, there is a growing effort in the area of dynamical processes at surfaces.

This book draws together a series of chapters written by acknowledged experts in the field, which describe progress in a range of specific emphasis is. With this nomenclature we can set up the basic kinematics needed for description of an atom–surface scattering event.

We introduce a coordinate system with the (x,y) plane coinciding with the surface of the crystal and the z-axis pointing outward, and denote by θ and φ the corresponding polar and azimuthal angles, what follows, we shall use the subscripts i and f to denote Cited by: Publications of Barbara J.

Garrison 1. Penning and Associative Ionization of Triplet Metastable Generalized Langevin Theory for Gas/Solid Processes: Dynamical Solid Models, S. Adelman and B. Garrison, J. Chem. Phys. 65, (). Quantum Dynamical Model for Thermal Desorption of Gases From Solid Surfaces, B.

Garrison, D. Hydrogen (H) atoms can exhibit significant quantum nuclear effects in many and varied materials, such as H-bonded crystals and ferroelectrics, high pressure ice, and at the surface and in the bulk of metals, where the rate of diffusion is enhanced by quantum tunneling.

Studies of H diffusion on metal surfaces provide model systems where tunneling can be studied in great detail under well Cited by: We report cross-sections and rate coefficients for excited states colliding with electrons, heavy particles and walls useful for the description of H 2 /He plasma kinetics under different conditions.

In particular, the role of the rotational states in resonant vibrational excitations of the H 2 molecule by electron impact and the calculation of the related cross-sections are by: 3. Get this from a library. Dynamical Processes and Ordering on Solid Surfaces: Proceedings of the Seventh Taniguchi Symposium, Kashikojima, Japan, September[Akio Yoshimori; Masaru Tsukada] -- This volume is the proceedings of the Seventh Taniguchi International Sympo sium on the Theory of Condensed Matter.

The symposium was held for five days from September 10 to 14. The book provides the equations, and approaches for their solution, which can be applied to complicated multilevel quantum systems.

It also gives the background theory for application to isolated atoms or trapped ions, simple molecules and atoms embedded in by: Quantum Molecular Dynamics Simulations of Processes in Many-Atom Systems. Photoinitiated Reactions of Several Nitrogen Oxides: Timescales and Mechanisms.

The Origin of Transient Absorption in Transparent Media. A Mixed Quantum-Classical Study of the Reactions OH+H 2 →H 2 O+H and OH+CO→CO 2 +H. To this end, we employ various non-linear multi-photon processes like REMPI or CARS to determine quantum state and velocity resolved product distributions characterizing the interaction of molecular species with 2D surface structures: Adsorption-desorption and photocatalytic reactions.

We compute the free energy and surface tension function for the five-vertex model, a model of non-intersecting monotone lattice paths on the grid in which each corner gets a positive weight. We give a variational principle for limit shapes in this setting, and show that the resulting Euler-Lagrange equation can be integrated, giving explicit.

His research has explored the application of quantum chemical methods in chemistry, with emphasis on surface science, particularly adsorption and catalysis. He has published more than research papers, notably in the area of modeling the structure and reactivity of transition metal oxide catalysts and zeolites, and he has given more than Cited by: Elementary Processes in Excitations and Reactions on Solid Surfaces explores the fundamental nature of dynamics on solid ts are made to reveal various aspects of elementary processes in excitations and reactions on solid surfaces by recent theoretical and experimental developments of the subjects such as molecular beams interacting with surfaces, ion beam scattering, laser.

Our basic model takes account of atomic deposition from a low-density vapor, thermal desorption, and surface diffusion. Refinements to the model include the effects of hot-atom knockout processes and asymmetric energy barriers near step [email protected]{osti_, title = {Vortex-ring-fractal Structure of Atom and Molecule}, author = {Osmera, Pavel}, abstractNote = {This chapter is an attempt to attain a new and profound model of the nature's structure using a vortex-ring-fractal theory (VRFT).

Scientists have been trying to explain some phenomena in Nature that have not been explained so far.A model of inteeractions between atoms is supplied as input before a simulation can be carried out. Quantum Molecular Dynamics Simulation: They do not require any a priori knowledge of interatomic interactions.

Only the laws of quantum mechanics are used. Classical dynamics of nuclei. Quantum dynamics of nuclei.