Computational Materials Design - Novel 2D Materials

Presentations

• Data-driven discovery of functional 2D materials utilizing a computational database for electronic structures

  ORAL

  March 9, 2018, 8:00 AM – March 9, 2018, 8:12 AM

  Presenters

  • Jinbo Pan

    • Temple Univ
    • Physics, Temple Univ

  Authors

  • Jinbo Pan

    • Temple Univ
    • Physics, Temple Univ

  • Haowei Peng

    • Department of Physics, Temple University
    • Temple Univ
    • Temple University

  • Hua Wang

    • Department of Materials Science and Engineering, Texas A&M University
    • Materials Science and Engineering

  • Jie Yu

    • Temple Univ
    • Temple University

  • Huta Banjade

    • Temple Univ
    • Physics, Temple Univ

  • Xiaofeng Qian

    • Department of Materials Science and Engineering, Texas A&M University
    • Materials Science and Engineering
    • Texas A&M Univ

  • John Perdew

    • Department of Physics, Temple University
    • Temple Univ
    • Temple University
    • Physics, Temple Univ

  • Qimin Yan

    • Temple Univ
    • Physics, Temple University
    • Physics, Temple Univ

  View abstract →

• Honeycomb Boron Allotropes with Dirac Cones: A True Analogue to Graphene

  ORAL

  March 9, 2018, 8:12 AM – March 9, 2018, 8:24 AM

  Presenters

  • Wencai Yi

    • California State University, Northridge
    • Cal State Univ - Northridge

  Authors

  • Wencai Yi

    • California State University, Northridge
    • Cal State Univ - Northridge

  • Wei Liu

    • Cal State Univ - Northridge

  • Jorge Botana

    • Cal State Univ - Northridge

  • Zhen Liu

    • Cal State Univ - Northridge

  • Jingyao Liu

    • Institute of Theoretical Chemistry, Jilin University,
    • Institute of Theoretical Chemistry, Jilin University

  • Maosheng Miao

    • Chemistry and Biochemistry, California State University Northridge
    • California State University, Northridge
    • Cal State Univ - Northridge
    • Chemistry and Biochemistry, California State University, Northridge
    • Department of Chemistry and Biochemistry, California State University, Northridge

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• Nitrophosphorene: A 2D Semiconductor with Both Large Direct Gap and Superior Mobility

  ORAL

  March 9, 2018, 8:24 AM – March 9, 2018, 8:36 AM

  Presenters

  • Lei Zhao

    • California State University, Northridge

  Authors

  • Lei Zhao

    • California State University, Northridge

  • Wencai Yi

    • California State University, Northridge
    • Cal State Univ - Northridge

  • Jorge Botana

    • Beijing Computational Science Research Center
    • California State University, Northridge
    • Simulation of Physical Systems Division, Beijing Computational Science Research Center

  • Feng Long Gu

    • South China Normal University

  • Maosheng Miao

    • Chemistry and Biochemistry, California State University Northridge
    • California State University, Northridge
    • Cal State Univ - Northridge
    • Chemistry and Biochemistry, California State University, Northridge
    • Department of Chemistry and Biochemistry, California State University, Northridge

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• 2D Materials: A Wonderland of Nonlinear Optical Responses

  ORAL

  March 9, 2018, 8:36 AM – March 9, 2018, 8:48 AM

  Presenters

  • Xiaofeng Qian

    • Department of Materials Science and Engineering, Texas A&M University
    • Materials Science and Engineering
    • Texas A&M Univ

  Authors

  • Hua Wang

    • Department of Materials Science and Engineering, Texas A&M University
    • Materials Science and Engineering

  • Xiaofeng Qian

    • Department of Materials Science and Engineering, Texas A&M University
    • Materials Science and Engineering
    • Texas A&M Univ

  View abstract →

• A new class of crystal structure for two-dimensional materials

  ORAL

  March 9, 2018, 8:48 AM – March 9, 2018, 9:00 AM

  Presenters

  • Kisung Chae

    • Korea Inst for Advanced Study
    • Korea Institute for Advanced Study

  Authors

  • Kisung Chae

    • Korea Inst for Advanced Study
    • Korea Institute for Advanced Study

  • Young-Woo Son

    • Korea Institute for Advanced Study
    • Korea Inst for Advanced Study

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• Goniopolarity of Thermal Transport Behavior in Layered 2D Materials

  ORAL

  March 9, 2018, 9:00 AM – March 9, 2018, 9:12 AM

  Presenters

  • Yaxian Wang

    • Materials Science and Engineering, The Ohio State University
    • Department of Materials Science and Engineering, The Ohio State University
    • Materials Science and Engineering , Ohio State Univ - Columbus

  Authors

  • Yaxian Wang

    • Materials Science and Engineering, The Ohio State University
    • Department of Materials Science and Engineering, The Ohio State University
    • Materials Science and Engineering , Ohio State Univ - Columbus

  • Bin He

    • Department of Mechanical Engineering, The Ohio State University
    • Mechanical and Aerospace Engineering, Ohio State Univ - Columbus

  • Maxx Arguilla

    • Chemistry, Massachusetts Institute of Technology
    • Department of Chemistry and Biochemistry, The Ohio State University

  • Nicholas Cultrara

    • Chemistry & Biochemistry, The Ohio State University
    • Department of Chemistry and Biochemistry, The Ohio State University

  • Joshua Goldberger

    • Chemistry & Biochemistry, The Ohio State University
    • Department of Chemistry and Biochemistry, The Ohio State University

  • Joseph Heremans

    • Materials Science Division, Argonne National Laboratory
    • Department of Mechanical Engineering, The Ohio State University

  • Wolfgang Windl

    • Materials Science and Engineering, The Ohio State University
    • Department of Materials Science and Engineering, The Ohio State University
    • Physics, Ohio State Univ - Columbus

  View abstract →

• Designing New Two-Dimensional Janus Nanomaterials by Anionic Exchange

  ORAL

  March 9, 2018, 9:12 AM – March 9, 2018, 9:24 AM

  Presenters

  • Woosun Jang

    • Materials Science and Engineering, Yonsei Univ
    • Materials Science and Engineering, Yonsei University

  Authors

  • Woosun Jang

    • Materials Science and Engineering, Yonsei Univ
    • Materials Science and Engineering, Yonsei University

  • Aloysius Soon

    • Materials Science and Engineering, Yonsei Univ
    • Materials Science and Engineering, Yonsei University
    • Materials Science & Engineering, Yonsei University

  View abstract →

• Effects of structural degeneracies on properties of two-dimensional materials

  ORAL

  March 9, 2018, 9:24 AM – March 9, 2018, 9:36 AM

  Presenters

  • Salvador Barraza-Lopez

    • Physics, University of Arkansas
    • PHYSICS, Univ of Arkansas-Fayetteville
    • Physics, Univ of Arkansas-Fayetteville

  Authors

  • Salvador Barraza-Lopez

    • Physics, University of Arkansas
    • PHYSICS, Univ of Arkansas-Fayetteville
    • Physics, Univ of Arkansas-Fayetteville

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• A materials informatics approach to the study of van der Waals materials

  ORAL

  March 9, 2018, 9:36 AM – March 9, 2018, 9:48 AM

  Presenters

  • Trevor David Rhone

    • Department of Physics, Harvard University

  Authors

  • Trevor David Rhone

    • Department of Physics, Harvard University

  • Shaan Desai

    • Department of Physics, Harvard University

  • Philip Kim

    • Department of Physics, Harvard University
    • Physics, Harvard University

  • Amir Yacoby

    • Harvard University
    • Department of Physics, Harvard University
    • Physics, Harvard University
    • Physics, Harvard Univ
    • Harvard Univ
    • School of Applied Sciences and Engineering, Harvard University

  • Efthimios Kaxiras

    • Department of Physics, Harvard University
    • Harvard Univ
    • Harvard University
    • Physics, Harvard University
    • School of Engineering and Applied Science, Harvard University

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• Electronic properties of a new family of Group 14-15 2D layered materials from first principles

  ORAL

  March 9, 2018, 9:48 AM – March 9, 2018, 10:00 AM

  Presenters

  • Muhammad Sufyan Ramzan

    • Physics and Earth Science, Jacobs University

  Authors

  • Muhammad Sufyan Ramzan

    • Physics and Earth Science, Jacobs University

  • Agnieszka Kuc

    • Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig

  • Thomas Heine

    • Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig

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• Integration of high-throughput, provenance and dissemination: the case of novel 2D materials

  ORAL

  March 9, 2018, 10:00 AM – March 9, 2018, 10:12 AM

  Presenters

  • Giovanni Pizzi

    • Theory and Simulation of Materials, EPFL

  Authors

  • Giovanni Pizzi

    • Theory and Simulation of Materials, EPFL

  • Nicolas Mounet

    • Theory and Simulation of Materials, EPFL

  • Nicola Marzari

    • STI IMX THEOS , École Polytechnique Fédérale de Lausanne
    • Theory and Simulation of Materials, EPFL

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• New two-dimensional anisotropic monolayers of phosphide binary compounds with wide fundamental bandgaps

  ORAL

  March 9, 2018, 10:12 AM – March 9, 2018, 10:24 AM

  Presenters

  • Congyan Zhang

    • Univ of Louisville

  Authors

  • Congyan Zhang

    • Univ of Louisville

  • Ming Yu

    • Univ of Louisville
    • Physics and Astronomy, Uniersity of Louisville
    • Physics and Astronomy, University of Louisville

  View abstract →