Computational Nanoscience: Nanotubes and Graphene
ORAL · Q31 ·
Presentations
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Possible Precursors for Boron Nanotubes: A Novel Bonding Picture in Boron Sheets and Nanotubes
ORAL
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Authors
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Hui Tang
- Department of Applied Physics, Yale University
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Sohrab Ismail-Beigi
- Department of Applied Physics, Yale University
- Center for Research on Interface Structures and Phenomena (CRISP) and Department of Applied Physics, Yale University, New Haven, CT 06520
- Yale University
- Yale University Department of Applied Physics
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Boron Nanotubes: Characterization Through Theory
ORAL
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Authors
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Abhishek Singh
- Department of Mechanical Engineering and Materials Science, Rice University, Houston, Tx 77005
- Materials Department, University of California, Santa Barbara, CA 93106
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Arta Sadrzadeh
- Rice University
- Department of Mechanical Engineering and Materials Science, Rice University, Houston, Tx 77005
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Boris Yakobson
- Rice University
- Department of Mechanical Engineering and Materials Science Rice University, and Department of Chemistry, Rice University, Houston Tx 77005
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On the Electronic and Geometric Structures of Armchair GeC Nanotubes: A Hybrid Density Functional Study
ORAL
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Authors
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Somilkumar Rathi
- The University of Texas at Arlington
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Asok K. Ray
- Department of Physics, University of Texas at Arlington, Arlington, Texas 76019
- The University of Texas at Arlington
- Physics Department, The University of Texas at Arlington
- Department of Physics, University of Texas at Arlington, Arlington, TX-76019
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Water in nanoscale confinement: Insights into structure, dynamics, and $^{1}$H-NMR chemical shifts from first-principles theory
ORAL
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Authors
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Patrick Huang
- Physical Sciences Division, Lawrence Livermore National Laboratory
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Eric Schwegler
- Physical Sciences Division, Lawrence Livermore National Laboratory
- LLNL
- Lawrence Livermore National Laboratory
- Lawrence Livermore National Lab
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Giulia Galli
- University of California-Davis
- UC Davis
- Department of Chemistry, University of California, Davis
- University of California, Davis
- Department of Chemistry, University of California, Davis, CA 95616, USA
- University of California Davis
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First-Principles Studies of Metal-Graphene and Metal-Nanotube Heterostructures
ORAL
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Authors
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Alejandro Lugo-Solis
- Department of Physics, New Mexico State University; Las Cruces, New Mexico 88003
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Igor Vasiliev
- Department of Physics, New Mexico State University; Las Cruces, New Mexico 88003
- New Mexico State University
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Linear plasmon dispersion in graphene and single-wall carbon nanotubes and the influence of interlayer interactions
ORAL
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Authors
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R. Hambach
- LSI, CEA-CNRS UMR 7642-Ecole Polytechnique, France and ETSF France
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C. Giorgetti
- LSI, CEA-CNRS UMR 7642-Ecole Polytechnique, France and ETSF France
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F. Sottile
- LSI, CEA-CNRS UMR 7642-Ecole Polytechnique, France and ETSF France
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L. Reining
- LSI, CEA-CNRS UMR 7642-Ecole Polytechnique, France and ETSF France
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C. Kramberger
- IFW Dresden, Germany
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M.H. R{\"u}mmeli
- IFW Dresden, Germany
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M. Knupfer
- IFW Dresden, Germany
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J. Fink
- IFW Dresden, Germany
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B. B{\"u}chner
- IFW Dresden, Germany
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T. Pichler
- IFW Dresden, Germany
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E. Einarsson
- The Univ. of Tokyo, Dept. of Mech. Eng., 7-3-1 Hongo, Bunkyo-ku, Tokyo, Japan
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S. Maruyama
- The Univ. of Tokyo, Dept. of Mech. Eng., 7-3-1 Hongo, Bunkyo-ku, Tokyo, Japan
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K. Hannewald
- IFTO, Friedrich-Schiller Universitaet Jena, Germany
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V. Olevano
- Institut Neel, Grenoble, France and ETSF France
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A.G. Marinopoulos
- Department of Physics and Astronomy, Vanderbilt University, Nashville, USA
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Tuning Field-Induced Energy Gap of Bilayer Graphene via Interlayer Spacing
ORAL
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Authors
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Yufeng Guo
- Department of Physics and High Pressure Science and Engineering Center, University of Nevada, Las Vegas, Nevada 89154
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Wanlin Guo
- Institute of Nanoscience, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016, China
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Changfeng Chen
- University of Nevada, Las Vegas
- Department of Physics \& High Pressure Center, University of Nevada, Las Vegas
- Department of Physics and High Pressure Science and Engineering Center, University of Nevada, Las Vegas, Nevada 89154
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Role of Surface Defects in the Carboxylation of Carbon Nanotubes: An \textit{Ab Initio} Study
ORAL
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Authors
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Nabil Al Aqtash
- Department of Physics, New Mexico State University, Las Cruces, New Mexico
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Igor Vasiliev
- Department of Physics, New Mexico State University, Las Cruces, New Mexico
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An ab initio description of cleaning of SWNT with UV light
ORAL
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Authors
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Abram Van Der Geest
- Colorado School of Mines
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Kathrine Hurst
- NIST
- NIST Boulder
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Mark T. Lusk
- Colorado Scool of Mines
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Modeling and simulation of adhesion between carbon nanotubes and surfaces
ORAL
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Authors
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Alper Buldum
- Department of Physics, The University of Akron, Akron, OH 44325
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Naba Raj Paudel
- Department of Physics, The University of Akron, Akron, OH 44325
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Toshiyuki Ohashi
- Honda Research Institute USA, Inc., Columbus, OH, 43212
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Liming Dai
- Department of Chemical and Materials Engineering, University of Dayton,
- Department of Chemical and Materials Engineering, University of Dayton
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Monte Carlo simulations of the effect of nanotube length distribution on the percolation resistivity in single-walled carbon nanotube films
ORAL
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Authors
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Jeremy Hicks
- University of Florida
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Ashkan Behnam
- University of Florida
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Ant Ural
- University of Florida
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Mechanism for Superelongation of Carbon Nanotubes at High Temperature
ORAL
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Authors
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Chun Tang
- Department of Physics \& High Pressure Center, University of Nevada, Las Vegas
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Wanlin Guo
- Institute of Nano Science, Nanjing University of Aeronautics \& Astronautics
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Changfeng Chen
- University of Nevada, Las Vegas
- Department of Physics \& High Pressure Center, University of Nevada, Las Vegas
- Department of Physics and High Pressure Science and Engineering Center, University of Nevada, Las Vegas, Nevada 89154
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Mesoscopic model for CNT-based materials
ORAL
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Authors
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Alexey Volkov
- University of Virginia
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Kiril Simov
- University of Virginia
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Leonid Zhigilei
- University of Virginia
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First-principles studies of the switching performance of [2]rotaxane molecules and monolayers
ORAL
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Authors
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Kinyip Phoa
- Department of Electrical Engineering and Computer Sciences, University of California, Berkeley
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J. B. Neaton
- Lawrence Berkeley National Laboratory
- The Molecular Foundry, Materials Sciences Division, Lawrence Berkeley National Laboratory
- Molecular Foundry, LBNL
- Molecular Foundry, Lawrence Berkeley National Laboratory
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Vivek Subramanian
- Department of Electrical Engineering and Computer Sciences, University of California, Berkeley
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Structure-property relations in electronic switches based on the rotaxane and catenane supramolecular family
ORAL
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Authors
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Yong-Hoon Kim
- University of Seoul
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