Theory and Computation of Hybrid Perovskites

FOCUS · D63 · ID: 355594

Presentations

  • Improved Accuracy Tight Binding Model for Finite Temperature Electronic Structure Dynamics in Methyl Ammonium Lead Iodide (MAPbI3)

    ORAL

    –

    Presenters

    • David Abramovitch

      University of California, Berkeley, Department of Physics, University of California, Berkeley

    Authors

    • David Abramovitch

      University of California, Berkeley, Department of Physics, University of California, Berkeley

    • Liang Tan

      Molecular Foundry, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory, Molecular Foundry, Lawrence Berkeley National Lab

    View abstract →

  • Materials Property Database for Hybrid Organic-Inorganic Perovskites and Application to Stability and Electronic Structure of (PEA)<sub>2</sub>PbI<sub>4</sub>

    ORAL

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    Presenters

    • Xixi Qin

      Duke University

    Authors

    • Xixi Qin

      Duke University

    • Xiaochen Du

      Duke University

    • Svenja Janke

      Mechanical Engineering and Material Sciences, Duke University, Duke University

    • Raul Laasner

      Duke University

    • Tianyang Li

      Duke University

    • Manoj Kumar Jana

      Duke University

    • Connor Clayton

      Carnegie Mellon University

    • Chi Liu

      Duke University

    • Sampreeti Bhattacharya

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

    • Juliana Mendes

      North Carolina State University

    • Jun Hu

      University of North Carolina at Chapel Hill

    • Dovletgeldi Seyitliyev

      North Carolina State University

    • Ruyi Song

      Duke University

    • Matti Ropo

      University of Turku

    • Franky So

      North Carolina State University

    • Kenan Gundogdu

      North Carolina State University

    • Wei You

      Department of Chemistry, University of North Carolina at Chapel Hill, University of North Carolina at Chapel Hill

    • Yosuke Kanai

      Univ of NC - Chapel Hill, Department of Chemistry, University of North Carolina at Chapel Hill, University of North Carolina at Chapel Hill

    • David B. Mitzi

      Duke University

    • Volker Blum

      Department of Mechanical Engineering and Materials Science, Duke University, Duke University, Mechanical Engineering and Material Sciences; Chemistry, Duke University

    View abstract →

  • First-principles Study of Water Insertion Process on MAPbI<sub>3 </sub>Surface

    ORAL

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    Presenters

    • Md. Abdullah Asad

      Okayama Univ

    Authors

    • Md. Abdullah Asad

      Okayama Univ

    • Masaki Hada

      Tsukuba Research Center for Interdisciplinary Materials Science, University of Tsukuba

    • Kyosuke Sato

      Graduate School of Natural Science and Technology, Okayama University, Okayama Univ

    • Yoichi Hasegawa

      Okayama Univ

    • Ryota Nagaoka

      Okayama Univ

    • Ryuji Mishima

      Okayama Univ

    • Takeshi Nishikawa

      Okayama Univ

    • Yoshifumi Yamashita

      Okayama Univ

    • Yasuhiko Hayashi

      Okayama Univ

    • Kenji Tsuruta

      Graduate School of Natural Science and Technology, Okayama University, Okayama Univ

    View abstract →

  • Theory of Layer Edge States in 2D Halide-Perovskites

    ORAL

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    Presenters

    • Jisook Hong

      Lawrence Berkeley National Laboratory

    Authors

    • Jisook Hong

      Lawrence Berkeley National Laboratory

    • David Prendergast

      Lawrence Berkeley National Laboratory, Lawrence Berkeley Nationa Laboratory, Molecular Foundry, Lawrence Berkeley National Laboratory

    • Liang Tan

      Molecular Foundry, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory, Molecular Foundry, Lawrence Berkeley National Lab

    View abstract →

  • Calculating band gap distributions of halide perovskites with a first-principles tight-binding approach

    ORAL

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    Presenters

    • Maximilian Schilcher

      Department of Physics, Technical University of Munich

    Authors

    • Maximilian Schilcher

      Department of Physics, Technical University of Munich

    • Matthew Z. Mayers

      Department of Chemistry, Columbia University

    • Liang Tan

      Molecular Foundry, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory, Molecular Foundry, Lawrence Berkeley National Lab

    • David Reichman

      Columbia University, Department of Chemistry, Columbia University

    • David Alexander Egger

      Department of Physics, TU Munich, Department of Physics, Technical University of Munich

    View abstract →

  • Structural and transport studies from air-stable hybrid perovskite thin films

    ORAL

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    Presenters

    • Randy Burns

      Department of Physics and Astronomy, University of Missouri - Columbia

    Authors

    • Randy Burns

      Department of Physics and Astronomy, University of Missouri - Columbia

    • Siphelo Ngqoloda

      Department of Physics, University of Western Cape

    • Christopher Arendse

      Department of Physics, University of Western Cape

    • Theophillus Muller

      Department of Physics, University of Western Cape

    • Sorb Yesudhas

      Department of Physics and Astronomy, University of Missouri - Columbia, Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA

    • Deepak K Singh

      Univ of Missouri - Columbia, Department of Physics and Astronomy, University of Missouri - Columbia

    • Suchismita Guha

      Univ of Missouri - Columbia, Physics and Astronomy, University of Missouri-Columbia, Department of Physics and Astronomy, University of Missouri, Columbia, MO, USA, Department of Physics and Astronomy, University of Missouri - Columbia, Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA

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  • Frenkel-Holstein Hamiltonian Applied to Quaterthiophene-based 2D Hybrid Organic-Inorganic Perovskites

    ORAL

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    Presenters

    • Svenja Janke

      Mechanical Engineering and Material Sciences, Duke University, Duke University

    Authors

    • Svenja Janke

      Mechanical Engineering and Material Sciences, Duke University, Duke University

    • Mohammad B. Qarai

      Chemistry, Temple University

    • Volker Blum

      Department of Mechanical Engineering and Materials Science, Duke University, Duke University, Mechanical Engineering and Material Sciences; Chemistry, Duke University

    • Frank Spano

      Temple University, Chemistry, Temple University

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  • Tunable Electronic Structure of 2D Hybrid Organic-Inorganic Perovskites from a First Principles Approach

    Invited

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    Presenters

    • Volker Blum

      Department of Mechanical Engineering and Materials Science, Duke University, Duke University, Mechanical Engineering and Material Sciences; Chemistry, Duke University

    Authors

    • Volker Blum

      Department of Mechanical Engineering and Materials Science, Duke University, Duke University, Mechanical Engineering and Material Sciences; Chemistry, Duke University

    View abstract →

  • Compounds with high macroscopically- averaged symmetries and low local symmetries: The consequence of lone-pair nematicity on electronic properties

    ORAL

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    Presenters

    • Xingang Zhao

      University of Colorado Boulder, University of Colorado, Boulder

    Authors

    • Xingang Zhao

      University of Colorado Boulder, University of Colorado, Boulder

    • Zhi Wang

      University of Colorado, Boulder, university of colorado

    • Alex Zunger

      University of Colorado, Boulder, University of Colorado Boulder, university of colorado

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  • Interfacial Electromechanics Predict Phase Behavior of 2D Hybrid Halide Perovskites

    ORAL

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    Presenters

    • Chris Price

      University of Pennsylvania

    Authors

    • Chris Price

      University of Pennsylvania

    • Jean-Christophe Blancon

      Rice Univ, Chemical and Biomolecular Engineering, Rice Univ, Chemical and Biomolecular Engineering, Rice University

    • Aditya Mohite

      Rice Univ, Chemical and Biomolecular Engineering, Rice Univ, Chemical and Biomolecular Engineering, Rice University

    • Vivek Shenoy

      University of Pennsylvania

    View abstract →