Focus Session: Hydrogen Storage I

Presentations

• High-Density Hydrogen Storage and Lithium Super-Ionic Conduction in Metal Borohydrides

  COFFEE_KLATCH · Invited

  March 15, 2010, 2:30 PM – March 15, 2010, 3:06 PM

  Authors

  • Shin-ichi Orimo

    • IMR, Tohoku University

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• Structural, Electronic, and Hydriding Properties of Li$_{2}$MgSi

  ORAL

  March 15, 2010, 3:06 PM – March 15, 2010, 3:18 PM

  Authors

  • Jan Herbst

    • General Motors
    • GM R\&D Center

  • Martin Meyer

    • GM R\&D Center

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• Thermodynamic and kinetic size effects for hydrogen-desorption in catalytically-doped magnesium hydride: Nanoparticle versus bulk surface effects

  ORAL

  March 15, 2010, 3:18 PM – March 15, 2010, 3:30 PM

  Authors

  • Jason Reich

    • Chemistry

  • Lin-Lin Wang

    • Materials Science and Engineering
    • Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign
    • University of Illinois at Urbana-Champaign

  • Duane D. Johnson

    • University of Illinois at Urbana-Champaign
    • University of Illinois at Urbana Champaign
    • Materials Science and Engineering
    • Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign

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• Quantum Monte Carlo Simulation of Nanoscale MgH2 Cluster Thermodynamics

  ORAL

  March 15, 2010, 3:30 PM – March 15, 2010, 3:42 PM

  Authors

  • Zhigang Wu

    • Colorado School of Mines

  • Mark Allendorf

    • Sandia National Laboratory

  • Jeffrey C. Grossman

    • MIT
    • Massachusetts Institute of Technology

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• Regeneration of AlH$_{3}$ studied with Raman and Infrared Spectroscopy

  ORAL

  March 15, 2010, 3:42 PM – March 15, 2010, 3:54 PM

  Authors

  • David Lacina

    • Brookhaven National Lab

  • J. Wegrzyn

    • Brookhaven National Lab

  • J.J. Reilly

    • Brookhaven National Lab

  • Jason Graetz

    • Brookhaven National Lab

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• Discovering the Optimal Route for Alane Synthesis on Ti doped Al Surfaces Using Density Functional Theory Based Kinetic Monte Carlo Methods

  ORAL

  March 15, 2010, 3:54 PM – March 15, 2010, 4:06 PM

  Authors

  • Altaf Karim

    • Center for Functional Nanomaterials, Brookhaven National Lab

  • James T. Muckerman

    • Center for Functional Nanomaterials, Department of Chemistry, Brookhaven National Lab

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• Comparative analysis of the hydrogen-vacancy interaction in Mg and Al based on density functional theory

  ORAL

  March 15, 2010, 4:06 PM – March 15, 2010, 4:18 PM

  Authors

  • Lars Ismer

    • Materials Department, University of California, Santa Barbara, CA 93106-5050

  • Anderson Janotti

    • Materials Department, University of California, Santa Barbara, CA 93106-5050

  • Min Sik Park

    • Department of Physics, Missouri University of Science and Technology, Rolla, MO 65409

  • Chris G. Van de Walle

    • Materials Department, University of California, Santa Barbara, CA 93106-5050

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• Theoretical investigation of hydrogen interaction in Covalent Organic Framework - 1

  ORAL

  March 15, 2010, 4:18 PM – March 15, 2010, 4:30 PM

  Authors

  • Pornjuk Srepusharawoot

    • Department of Physics and Materials Science, Uppsala University, SE-75121, Uppsala

  • Ralph H. Scheicher

    • Department of Physics and Materials Science, Uppsala University, SE-75121, Uppsala

  • C. Moys\'es Ara\'ujo

    • Department of Physics and Materials Science, Uppsala University, SE-75121, Uppsala

  • Andreas Blomqvist

    • Department of Physics and Materials Science, Uppsala University, SE-75121, Uppsala

  • Rajeev Ahuja

    • Department of Physics and Materials Science, Uppsala University, SE-75121, Uppsala

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• First Principles Simulations of Hydrogen Storage via Spillover in MOF-5

  ORAL

  March 15, 2010, 4:30 PM – March 15, 2010, 4:42 PM

  Authors

  • Donald Siegel

    • Unverisity of Michigan
    • University of Michigan

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• Energetics and dynamics of H$_2$ adsorbed in metal-organic frameworks from a van der Waals density functional approach

  ORAL

  March 15, 2010, 4:42 PM – March 15, 2010, 4:54 PM

  Authors

  • Lingzhu Kong

    • Rutgers University

  • Nour Nijem

    • UT Dallas
    • University of Texas at Dallas

  • Yonggang Zhao

    • Rutgers

  • Yves J. Chabal

    • Department of Materials Science and Engineering, University of Texas at Dallas
    • UT Dallas

  • Jing Li

    • Rutgers

  • David C. Langreth

    • Rutgers

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• Understanding the kinetics of adsorption in narrow channel metal organic frameworks

  ORAL

  March 15, 2010, 4:54 PM – March 15, 2010, 5:06 PM

  Authors

  • Wei Zhou

    • NIST Center for Neutron Research

  • Jason Simmons

    • NIST Center for Neutron Research

  • Taner Yildirim

    • NIST Center for Neutron Research

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• On the Hydrogen Storage Capacity Limitations of Carbon Nanotube Bundles

  ORAL

  March 15, 2010, 5:06 PM – March 15, 2010, 5:18 PM

  Authors

  • Dimitrios Maroudas

    • University of Massachusetts, Amherst
    • Department of Chemical Engineering, University of Massachusetts, Amherst, MA 01003
    • Dept. of Chemical Engineering, Univeristy of Massachusetts, Amherst
    • University of Massachusetts Amherst
    • Department of Chemical Engineering, University of Massachusetts, Amherst

  • Andre Muniz

    • University of Massachusetts Amherst

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• Hydrogen clathrates of ammonia borane

  ORAL

  March 15, 2010, 5:18 PM – March 15, 2010, 5:30 PM

  Authors

  • Maciej Gutowski

    • Chemistry-School of EPS, Heriot-Watt University

  • Alexander Abramov

    • Chemistry-School of EPS, Heriot-Watt University

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