Van der Waals Bonding in Advanced Materials IV

Presentations

• Decomposition mechanisms in metal borohydrides and their ammoniates

  ORAL

  March 16, 2017, 8:00 AM – March 16, 2017, 8:12 AM

  Authors

  • E. Welchman

    • Wake Forest University

  • T. Thonhauser

    • Wake Forest University

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• H4-alkanes: A new class of hydrogen storage material?

  ORAL

  March 16, 2017, 8:12 AM – March 16, 2017, 8:24 AM

  Authors

  • D. Harrison

    • Wake Forest University

  • Evan Welchman

    • Wake Forest University

  • T. Thonhauser

    • Wake Forest University

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• First-principles study of van der Waals driven molecular sponges as carriers for small molecules

  ORAL

  March 16, 2017, 8:24 AM – March 16, 2017, 8:36 AM

  Authors

  • Majid Mortazavi

    • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft

  • Alexandre Tkatchenko

    • Fritz-Haber-Institut der Max-Planck-Gesellschaft;Physics and Materials Science Research Unit, University of Luxembourg

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• First-principles studies of small-molecule adsorption and mechanical properties of amine-appended metal-organic frameworks

  ORAL

  March 16, 2017, 8:36 AM – March 16, 2017, 8:48 AM

  Authors

  • Jung-Hoon Lee

    • Department of Physics, University of California, Berkeley

  • Jeffrey B. Neaton

    • Department of Physics, UC Berkeley; Molecular Foundry, LBNL
    • Department of Physics, UC Berkeley & Molecular Foundry, LBNL
    • Department of Physics, UC Berkeley; Molecular Foundry, LBNL; Kavli Energy NanoScience Institute
    • Department of Physics, University of California, Berkeley
    • Lawrence Berkeley National Laboratory
    • Molecular Foundry, LBNL; Dept. of Physics, UC Berkeley; Kavli ENSI
    • LBNL
    • Univ of California - Berkeley, Lawrence Berkeley National Lab
    • Physics, UC Berkeley, and Molecular Foundry, LBNL
    • University of California
    • Molecular Foundry, Lawrence Berkeley National Lab; Dept. of Physics, University of California Berkeley; Kavli NanoScience Institute, Berkeley, CA, USA
    • Department of Physics, UC Berkeley; Molecular Foundry, LBNL; Kavli Energy NanoSciences Institute at Berkeley
    • Physics Department, UC Berkeley; Molecular Foundry, Lawrence Berkeley National Lab; Kavli Energy NanoSciences Institute at Berkeley

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• Zero and finite temperature adsorption energies in zeolites: A random phase approximation study

  ORAL

  March 16, 2017, 8:48 AM – March 16, 2017, 9:00 AM

  Authors

  • Anant Dixit

    • University of Lorraine (France)
    • University of Lorraine and CNRS, Nancy (France)

  • Michael Badawi

    • University of Lorraine (France)

  • Tomas Bucko

    • Comenius University in Bratislava and Slovak Academy of Sciences (Slovakia)

  • Sebastien Lebegue

    • University of Lorraine and CNRS (France)

  • Janos Angyan

    • University of Lorraine and CNRS (France)
    • University of Lorraine and CNRS, Nancy (France)

  • Dario Rocca

    • University of Lorraine and CNRS (France)
    • University of Lorraine and CNRS, Nancy (France)

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• Interlayer Binding of Bilayer Low-dimensional $sp$,$sp^2$- Hybridized Carbon Networks : Quantum Monte Carlo Study

  ORAL

  March 16, 2017, 9:00 AM – March 16, 2017, 9:12 AM

  Authors

  • Hyeondeok Shin

    • Argonne National Laboratory
    • Argonne Natl Lab

  • Jeongnim Kim

    • Intel Corporation

  • Anouar Benali

    • Argonne National Laboratory
    • Argonne Natl Lab

  • Yongkyung Kwon

    • Konkuk University
    • KonKuk Univ

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• Non-Covalent Interactions and Thermal Effects in the Quest for Selective Atomic Layer Deposition

  ORAL

  March 16, 2017, 9:12 AM – March 16, 2017, 9:24 AM

  Authors

  • Jonathan Wong

    • Cornell Univ

  • Taewon Suh

    • Cornell Univ

  • Ka Un Lao

    • Cornell Univ
    • Cornell University

  • James R. Engstrom

    • Cornell Univ

  • Robert DiStasio Jr.

    • Cornell Univ
    • Cornell University
    • Department of Chemistry and Chemical Biology, Cornell University

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• Critical wetting instabilities of light gases on graphene

  ORAL

  March 16, 2017, 9:24 AM – March 16, 2017, 9:36 AM

  Authors

  • Adrian Del Maestro

    • University of Vermont

  • Sanghita Sengupta

    • University of Vermont

  • Nathan Nichols

    • University of Vermont

  • Valeri Kotov

    • University of Vermont

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• Diffusion Monte Carlo method for evaluating Hamaker constants

  ORAL

  March 16, 2017, 9:36 AM – March 16, 2017, 9:48 AM

  Authors

  • Ryo Maezono

    • JAIST
    • Japan Adv Inst of Sci and Tech

  • Kenta Hongo

    • JAIST
    • Japan Adv Inst of Sci and Tech

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• Fabrication of functional ultrathin single-crystal nanowires from quasi-one dimensional van der Waals crystals Ta$_{\mathrm{2}}$(Pd or Pt)$_{\mathrm{3}}$Se$_{\mathrm{8}}$

  ORAL

  March 16, 2017, 9:48 AM – March 16, 2017, 10:00 AM

  Authors

  • Xue Liu

    • Tulane University
    • Tulane Univ

  • Jinyu Liu

    • Tulane University

  • Jin Hu

    • Tulane University

  • Chunlei Yue

    • Tulane University

  • Zhiqiang Mao

    • Tulane University

  • Jiang Wei

    • Tulane University

  • Yibo Zhu

    • Columbia University

  • Ana Sanchez

    • University of Warwick

  • Liubov Antipina

    • Technology Institute for Superhard and Novel Carbon Materials

  • Pavel Sorokin

    • Technology Institute for Superhard and Novel Carbon Materials

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• Two-dimensional van der Waals p-n junction of InSe/Phosphorene

  ORAL

  March 16, 2017, 10:00 AM – March 16, 2017, 10:12 AM

  Authors

  • Jose Eduardo Padilha

    • Universidade Federal do Paraná Jandaia do Sul

  • Roberto Hiroki Miwa

    • Universidade Federal de Uberlandia

  • Antonio Jose Roque da Silva

    • Laboratorio Nacional de Luz Sincrotron

  • Adalberto Fazzio

    • Universidade Federal do ABC

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• Long-Range Repulsion Between Spatially Confined van der Waals Dimers

  POSTER

  March 16, 2017, 10:12 AM – March 16, 2017, 10:24 AM

  Authors

  • Mainak Sadhukhan

    • University of Luxembourg

  • Alexandre Tkatchenko

    • Physics and Materials Science Research Unit, University of Luxembourg, Luxembourg
    • University of Luxembourg

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