Focus Session: Computational Nanoscience I: Inorganic Nanostructures and Interfaces

Presentations

• Interface electrostatics in ferroelectric capacitors from first principles

  COFFEE_KLATCH · Invited

  March 16, 2009, 8:00 AM – March 16, 2009, 8:36 AM

  Authors

  • Massimiliano Stengel

    • UCSB

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• Multiexciton absorption in CdSe nanocrystals

  ORAL

  March 16, 2009, 8:36 AM – March 16, 2009, 8:48 AM

  Authors

  • Alberto Franceschetti

    • National Renewable Energy Laboratory

  • Yong Zhang

    • National Renewable Energy Laboratory

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• Electronic Structure of Thiolate Covered Gold Nanoparticles

  ORAL

  March 16, 2009, 8:48 AM – March 16, 2009, 9:00 AM

  Authors

  • Yan Li

    • University of California, Davis

  • Giulia Galli

    • UC Davis
    • University of California Davis
    • Department of Chemistry, University of California, Davis
    • UC Davis, Chemistry Department, Davis CA
    • University of California, Davis

  • Francois Gygi

    • University of California Davis, Davis CA 95616
    • Dept. of Applied Science, UC Davis
    • University of California, Davis

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• Covalently Bonded Aromatic Molecules on Gold using a GW Approach

  ORAL

  March 16, 2009, 9:00 AM – March 16, 2009, 9:12 AM

  Authors

  • Isaac Tamblyn

    • Dalhousie University

  • Su Ying Quek

    • Molecular Foundry, LBNL

  • Stanimir A. Bonev

    • Dalhousie Univesity
    • Dalhousie University

  • Jeffrey B. Neaton

    • LBNL Molecular Foundry
    • Molecular Foundry, LBNL

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• First-principles studies of interfacial charge separation in nano-materials photovoltaic heterojunction

  COFFEE_KLATCH · Invited

  March 16, 2009, 9:12 AM – March 16, 2009, 9:48 AM

  Authors

  • Yosuke Kanai

    • University of California at Berkeley
    • University of California, Berkeley

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• Nanoscale phase stability reversals in titanium oxide polymorphs

  ORAL

  March 16, 2009, 9:48 AM – March 16, 2009, 10:00 AM

  Authors

  • Paul Kent

    • CNMS, Oak Ridge National Lab
    • ORNL
    • Oak Ridge National Laboratory

  • Daniel Hummer

    • Pennsylvania State University

  • James Kubicki

    • Department of Geosciences, The Pennsylvania State University
    • Pennsylvania State University

  • Jeffrey Post

    • Smithsonian Institution

  • Peter Heaney

    • Pennsylvania State University

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• Domain boundary formation in helical multishell gold nanowire

  ORAL

  March 16, 2009, 10:00 AM – March 16, 2009, 10:12 AM

  Authors

  • Takeo Hoshi

    • Tottori University

  • Takeo Fujiwara

    • University of Tokyo

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• Plasmon resonance of gold nanoparticles: the effect of surfactants and solvents

  ORAL

  March 16, 2009, 10:12 AM – March 16, 2009, 10:24 AM

  Authors

  • Jeremy Neal

    • Liquid Crystal Institute, Kent State University

  • Peter Palffy-Muhoray

    • Liquid Crystal Institute, Kent State University
    • Kent State University, Kent, OH USA

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• Investigation of atomic oxygen embedment into copper surface by DFT calculation

  ORAL

  March 16, 2009, 10:24 AM – March 16, 2009, 10:36 AM

  Authors

  • Minyoung Lee

    • Carnegie Mellon University

  • Alan McGaughey

    • Carnegie Mellon University

  • Susan Sinnott

    • University of Florida

  • Simon Phillpot

    • University of Florida

  • Judith Yang

    • University of Pittsburgh

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• \textit{Ab initio} vibrational dynamics of Ag$_{27}$Cu$_{7}$ nanoalloy.

  ORAL

  March 16, 2009, 10:36 AM – March 16, 2009, 10:48 AM

  Authors

  • Marisol Alcantara Ortigoza

    • University of Central Florida

  • Rolf Heid

    • Forschungszentrum Karlsruhe, IFP, Germany
    • Forschungszentrum Karlsruhe (IFP)

  • Klaus P. Bohnen

    • Forschungszentrum Karlsruhe, IFP
    • Forschungszentrum Karlsruhe, IFP, Germany
    • Forschungszentrum Karlsruhe (IFP)

  • Talat S. Rahman

    • University of Central Florida

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• Clusters, Platelets, and Nanowires of Mo-S, and Their Assemblies

  ORAL

  March 16, 2009, 10:48 AM – March 16, 2009, 11:00 AM

  Authors

  • P. Murugan

    • Central Electrochemical Research Institute, Karaikudi, T.N. India

  • Vijay Kumar

    • Dr. Vijay Kumar Foundation, Gurgaon, India
    • DR. Vijay Kumar Foundation, Gurgaon, India

  • Y. Kawazoe

    • Tohoku University
    • IMR, Tohoku Univ. Sendai, Japan
    • Institute for Materials Research, Tohoku Univerisity
    • IMR, Tohoku Univ., Sendai, Japan

  • N. Ota

    • Hitachi Maxell Ltd., Tokyo, Japan

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