Focus Session: Computational Nanoscience IV: Carbon- and Silicon-based Nanostructures

Presentations

• New Routes Toward Nanotube Synthesis: Computation and Experiment

  COFFEE_KLATCH · Invited

  March 17, 2009, 11:15 AM – March 17, 2009, 11:51 AM

  Authors

  • Feng Liu

    • University of Utah
    • Department of Material Science and Engineering, University of Utah, Salt Lake City, Utah, 84112
    • university of utah

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• Thermal Properties of Vertically Aligned Carbon Nanotube-Nanocomposites Boundary Resistance and Inter- Carbon Nanotube Contact: Experiments and Modeling

  ORAL

  March 17, 2009, 11:51 AM – March 17, 2009, 12:03 PM

  Authors

  • Hai Duong

    • MIT

  • N. Yamamoto

    • MIT

  • M. Panzer

    • Stanford Uni

  • A. Marconnet

    • Stanford Uni

  • K. Goodson

    • Stanford Uni

  • D. Papavassiliou

    • The Uninversity of Oklahoma
    • The University of Oklahoma

  • Shigeo Maruyama

    • Univ. of Tokyo
    • Tokyo Uni
    • Department of Mechanical Engineering, The University of Tokyo

  • B. Wardle

    • MIT

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• Thermal activation of interlayer bonding and its effect on properties of multiwalled carbon nanotubes

  ORAL

  March 17, 2009, 12:03 PM – March 17, 2009, 12:15 PM

  Authors

  • Chun Tang

    • Department of Physics \& High Pressure Center, University of Nevada, Las Vegas

  • Wanlin Guo

    • Institute of Nano Science, Nanjing University of Aeronautics \& Astronautics

  • Changfeng Chen

    • Department of Physics and High Pressure Science and Engineering Center, University of Nevada, Las Vegas, Nevada 89154, USA
    • University of Nevada, Las Vegas
    • Department of Physics \& High Pressure Science and Engineering Center, University of Nevada Las Vegas

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• Effective Hamiltonian approach to bright and dark excitons in single-walled carbon nanotubes

  ORAL

  March 17, 2009, 12:15 PM – March 17, 2009, 12:27 PM

  Authors

  • Sangkook Choi

    • University of California at Berkeley and Lawrence Berkeley National Lab

  • Jack Deslippe

    • The department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • University of California at Berkeley and Lawrence Berkeley National Lab

  • Steven G. Louie

    • The department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • UC Berkeley, Lawrence Berkeley National Labratory
    • University of California Berkeley
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720
    • Department of Physics, University of California, Berkeley and Lawrence Berkeley National Laboratory
    • Department of Physics, University of California at Berkeley and Materials Sciences Division of Lawrence Berkeley National Laboratory
    • University of California, Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Lab

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• First-principles studies of the optical properties of carbon nanohoops

  ORAL

  March 17, 2009, 12:27 PM – March 17, 2009, 12:39 PM

  Authors

  • Joydeep Bhattacharjee

    • Lawrence Berkeley National Laboratory

  • Jeffrey B. Neaton

    • Molecular Foundry, Lawrence Berkeley National Laboratory
    • Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA
    • Lawrence Berkeley National Laboratory

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• First-principles study of methane adsorption on defective graphitic nanostructures

  ORAL

  March 17, 2009, 12:39 PM – March 17, 2009, 12:51 PM

  Authors

  • Brandon Wood

    • Theoretical Sciences Unit, JNCASR, Bangalore, India

  • Debosruti Dutta

    • Department of Chemical Engineering, Indian Institute of Science, Bangalore, India

  • Ganapathy Ayappa

    • Department of Chemical Engineering, Indian Institute of Science, Bangalore, India

  • Shobhana Narasimhan

    • Theoretical Sciences Unit, JNCASR, Bangalore, India

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• Effects of hydrogen chemisorption on the structure of carbon nanotubes

  ORAL

  March 17, 2009, 12:51 PM – March 17, 2009, 1:03 PM

  Authors

  • Andre Muniz

    • University of Massachusetts at Amherst

  • Tejinder Singh

    • University of Massachusetts, Amherst
    • University of Massachusetts at Amherst

  • Dimitrios Maroudas

    • University of Massachusetts, Amherst
    • Department of Chemical Engineering, University of Massachusetts, Amherst, MA 01003-3110
    • University of Massachusetts at Amherst

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• First principles study of NH$_{3}$ adsorption on carbon nanowires

  ORAL

  March 17, 2009, 1:03 PM – March 17, 2009, 1:15 PM

  Authors

  • Alejandro Tapia

    • Facultad de Ingenieria (UADY)
    • UADY

  • Alvaro-Daniel Sanchez

    • Facultad de Ingenieria (UADY)

  • Cesar Acosta

    • Facultad de Ingenieria (UADY)

  • Gabriel Canto

    • Centro de Investigaciones en Corrosion (UACAM)

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• First-Principles Studies of Octacyclopropylcubane: A Novel High-Energy Density Material

  ORAL

  March 17, 2009, 1:15 PM – March 17, 2009, 1:27 PM

  Authors

  • Steven L. Richardson

    • Howard University

  • Reeshemah N. Allen

    • Naval Research Laboratory

  • Daniel Finkenstadt

    • Naval Research Laboratory

  • Michael J. Mehl

    • Naval Research Laboratory
    • U.S. Naval Research Laboratory, Washington, DC

  • Mark R. Pederson

    • Naval Research Laboratory

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• Efficient first-principles simulation of non-contact atomic force microscopy for structural analysis

  ORAL

  March 17, 2009, 1:27 PM – March 17, 2009, 1:39 PM

  Authors

  • James Chelikowsky

    • The University of Texas at Austin
    • University of Texas at Austin
    • University of Texas, Austin
    • University of Texas, Austin, TX
    • UT Austin
    • University of Texas

  • Tzu-Liang Chan

    • University of Texas at Austin
    • University of Texas

  • Cai-Zhuang Wang

    • Ames Laboratory-U.S. DOE
    • Iowa State University

  • Kai-Ming Ho

    • Iowa State University

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• Ab initio calculation of Stokes shifts of hydrogenated silicon clusters

  ORAL

  March 17, 2009, 1:39 PM – March 17, 2009, 1:51 PM

  Authors

  • Marie Lopez del Puerto

    • University of St. Thomas, St. Paul, MN

  • Manish Jain

    • University of Texas, Austin and Department of Physics, University of California, Berkeley
    • University of California, Berkeley, CA

  • James Chelikowsky

    • The University of Texas at Austin
    • University of Texas at Austin
    • University of Texas, Austin
    • University of Texas, Austin, TX
    • UT Austin
    • University of Texas

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• Calculated Polarizabilities of Diamond and Silicon Nanoclusters

  ORAL

  March 17, 2009, 1:51 PM – March 17, 2009, 2:03 PM

  Authors

  • Sudha Srinivas

    • Physics Department, Northeastern Illinois University, Chicago, IL 60625

  • Koblar Jackson

    • Physics Department, Central Michigan University, Mt. Pleasant, MI 48859

  • Mingli Yang

    • Institute for Nanobiomedical Technology and Membrane Biology, Sichuan University, Chengdu 610041, China

  • Julius Jellinek

    • Chemistry Division, Argonne National Laboratory, Argonne, IL 60439

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• The Role of Vacancies on the Doping in Silicon Nanocrystals

  ORAL

  March 17, 2009, 2:03 PM – March 17, 2009, 2:15 PM

  Authors

  • Jae-Hyeon Eom

    • University of Texas at Austin

  • Tzu-Liang Chan

    • University of Texas at Austin
    • University of Texas

  • James Chelikowsky

    • The University of Texas at Austin
    • University of Texas at Austin
    • University of Texas, Austin
    • University of Texas, Austin, TX
    • UT Austin
    • University of Texas

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