Computational Materials Discovery and Design - Graphene and 2D Materials

Presentations

• Computational design and optimization of energy materials

  ORAL · Invited

  March 16, 2016, 11:15 AM – March 16, 2016, 11:51 AM

  Authors

  • Maria Chan

    • Argonne National Laboratory

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• High-throughput prediction of novel two-dimensional materials

  ORAL

  March 16, 2016, 11:51 AM – March 16, 2016, 12:03 PM

  Authors

  • Nicolas Mounet

    • Ecole Polytechnique Federale de Lausanne, Switzerland

  • Philippe Schwaller

    • Ecole Polytechnique Federale de Lausanne, Switzerland

  • Andrea Cepellotti

    • Ecole Polytechnique Federale de Lausanne, Switzerland

  • Andrius Merkys

    • Vilnius University, Lithuania

  • Ivano Eligio Castelli

    • Ecole Polytechnique Federale de Lausanne, Switzerland

  • Marco Gibertini

    • Ecole Polytechnique Federale de Lausanne, Switzerland

  • Giovanni Pizzi

    • Ecole Polytechnique Federale de Lausanne, Switzerland

  • Nicola Marzari

    • Ecole Polytechnique Federale de Lausanne, Switzerland

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• New Monolayered Materials Exhibiting Unusual Electronic Properties

  ORAL

  March 16, 2016, 12:03 PM – March 16, 2016, 12:15 PM

  Authors

  • Alejandro Lopez-Bezanilla

    • University of Chicago, Argonne National Laboratory
    • Argonne Natl Lab

  • Ivar Martin

    • Argonne Natl Lab

  • Peter B. Littlewood

    • Argonne Natl Lab & James Franck Institute, University of Chicago

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• First-principles Study of Size and Edge Dependent Properties of MXene Nanoribbons

  ORAL

  March 16, 2016, 12:15 PM – March 16, 2016, 12:27 PM

  Authors

  • Liang Hong

    • Univ of Illinois - Chicago

  • Robert Klie

    • Univ of Illinois - Chicago

  • Serdar Ogut

    • University of Illinois at Chicago
    • Univ of Illinois - Chicago

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• First-principles study of 2D electride : Gadolinium carbide

  ORAL

  March 16, 2016, 12:27 PM – March 16, 2016, 12:39 PM

  Authors

  • Chandani Nandadasa

    • Mississippi State University, Starkville, MS39762

  • Seong-Gon Kim

    • Mississippi State University, Starkville, MS39762

  • Sungho Kim

    • Mississippi State University, Starkville, MS39762

  • Sung Wng Kim

    • sungkyunkwan university, Suwon, Korea

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• \textbf{Phase Transition between Black and Blue Phosphorenes: A Quantum Monte Carlo Study}

  ORAL

  March 16, 2016, 12:39 PM – March 16, 2016, 12:51 PM

  Authors

  • Lesheng Li

    • Univ of NC - Chapel Hill

  • Yi Yao

    • Univ of NC - Chapel Hill
    • University of North Carolina at Chapel Hill

  • Kyle Reeves

    • Univ of NC - Chapel Hill
    • University of North Carolina at Chapel Hill

  • Yosuke Kanai

    • Univ of NC - Chapel Hill
    • University of North Carolina at Chapel Hill

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• Induced Magnetization and Band Gap in Graphene-Like Materials: Towards Spintronics

  ORAL

  March 16, 2016, 12:51 PM – March 16, 2016, 1:03 PM

  Authors

  • Xuan Luo

    • National Graphene Research and Development Center

  • Jesse Cai

    • Thomas Jefferson High School for Science and Technology

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• Anisotropic Dirac Fermions in Novel 2D Carbon and Silicon Allotropes

  ORAL

  March 16, 2016, 1:03 PM – March 16, 2016, 1:15 PM

  Authors

  • Zhenhai Wang

    • Stony Brook University

  • Mingwen Zhao

    • Shandong University

  • Xiang-Feng Zhou

    • Stony Brook University

  • Qiang Zhu

    • Stony Brook University

  • Xiaoming Zhang

    • Shandong University

  • Huafeng Dong

    • Stony Brook University

  • Artem Oganov

    • Skolkovo Inst Sci and Tech; Moscow Inst of Phys and Tech; SUNY Stony Brook, Dept Geosci Ctr Mat Design; SUNY Stony Brook, Inst Adv Computat
    • Stony Brook University
    • Skolkovo Institute of Science and Technology, Moscow, Russia

  • Shumin He

    • Nanjing University of Posts and Telecommunications

  • Peter Gr\"{u}nberg

    • Nanjing University of Posts and Telecommunications

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• Carbon Phosphide Monolayers: Novel 2D Materials

  ORAL

  March 16, 2016, 1:15 PM – March 16, 2016, 1:27 PM

  Authors

  • Gaoxue Wang

    • Michigan Technological Univ

  • Ravindra Pandey

    • Michigan Technological Univ

  • Shashi P. Karna

    • US Army Research Laboratory

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• Influence of Metal Substrates on the Nucleation of Chemical Vapor Deposition Growth of Graphene

  ORAL

  March 16, 2016, 1:27 PM – March 16, 2016, 1:39 PM

  Authors

  • Jia Li

    • Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055, People's Republic of China

  • Lixiang Zhong

    • Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055, People's Republic of China

  • Yuanchang Li

    • National Center for Nanoscience and Technology, Beijing 100190, People's Republic of China

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• Stability and Superconductivity of N-(B-) Doped Graphene

  ORAL

  March 16, 2016, 1:39 PM – March 16, 2016, 1:51 PM

  Authors

  • Jian Zhou

    • Virginia Commonwealth Univ

  • Qiang Sun

    • Peking University

  • Qian Wang

    • Peking University

  • Puru Jena

    • Virginia Commonwealth Univ
    • Virginia Commonwealth University

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• Next Generation Monolayer Structures of Group V Elements: Nitrogene and Antimonene

  ORAL

  March 16, 2016, 1:51 PM – March 16, 2016, 2:03 PM

  Authors

  • Ongun Ozcelik

    • Princeton University

  • Olcay Akturk

    • Bilkent University

  • Engin Durgun

    • Bilkent University
    • Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey

  • Salim Ciraci

    • Bilkent University

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• Design of low work function materials using alkali metal-doped transition metal dichalcogenides

  ORAL

  March 16, 2016, 2:03 PM – March 16, 2016, 2:15 PM

  Authors

  • Sol Kim

    • Pohang Univ of Sci & Tech

  • Man Young Lee

    • 4th R&D Institute-4, Agency for Defense Development.

  • Seong Lee

    • 4th R&D Institute-4, Agency for Defense Development.

  • Seung-Hoon Jhi

    • Pohang Univ of Sci & Tech

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