Computational Materials Design - Solar Cells and Solid State Lighting Materials

Presentations

• Accelerated discovery of lead-free organic-inorganic halide double perovskites for optoelectronics

  ORAL

  March 9, 2018, 11:15 AM – March 9, 2018, 11:27 AM

  Presenters

  • Kesong Yang

    • Nanoengineering, Univ of California - San Diego
    • Department of NanoEngineering, University of California San Diego

  Authors

  • Kesong Yang

    • Nanoengineering, Univ of California - San Diego
    • Department of NanoEngineering, University of California San Diego

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• Enhancing Ferroelectric Dipole Ordering in the Organic-Inorganic Hybrid Perovskite CH₃NH₃PbI₃: Strain and Doping Engineering

  ORAL

  March 9, 2018, 11:27 AM – March 9, 2018, 11:39 AM

  Presenters

  • Yuheng Li

    • Nanoengineering, Univ of California - San Diego

  Authors

  • Yuheng Li

    • Nanoengineering, Univ of California - San Diego

  • Maziar Behtash

    • Nanoengineering, Univ of California - San Diego

  • Joseph Wong

    • Nanoengineering, Univ of California - San Diego

  • Kesong Yang

    • Nanoengineering, Univ of California - San Diego
    • Department of NanoEngineering, University of California San Diego

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• Discovery of Halide Perovskites and superlattices as a Design Problem

  Invited

  March 9, 2018, 11:39 AM – March 9, 2018, 12:15 PM

  Presenters

  • Alex Zunger

    • Univ of Colorado - Boulder
    • 2630 julliard st, Univ of Colorado - Boulder
    • Renewable and Sustainable Energy Institute, University of Colorado
    • University of Colorado
    • University of Colorado, Boulder

  Authors

  • Alex Zunger

    • Univ of Colorado - Boulder
    • 2630 julliard st, Univ of Colorado - Boulder
    • Renewable and Sustainable Energy Institute, University of Colorado
    • University of Colorado
    • University of Colorado, Boulder

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• NaSbSe₂ as a Promising Light-Absorber Semiconductor in Solar Cells: First-Principles Insights

  ORAL

  March 9, 2018, 12:15 PM – March 9, 2018, 12:27 PM

  Presenters

  • Chenmin Dai

    • East China Normal University

  Authors

  • Chenmin Dai

    • East China Normal University

  • Menglin Huang

    • East China Normal University

  • Zenghua Cai

    • East China Normal University

  • Dan Han

    • East China Normal University

  • Shiyou Chen

    • East China Normal University

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• Computational Generation of Hydrogenated Amorphous Silicon for Tandem Solar Cells: Strain, Voids, and Interfaces

  ORAL

  March 9, 2018, 12:27 PM – March 9, 2018, 12:39 PM

  Presenters

  • Enrique Guerrero

    • Physics, Univ of California - Merced

  Authors

  • Enrique Guerrero

    • Physics, Univ of California - Merced

  • David Strubbe

    • Physics, Univ of California - Merced
    • Dept. of Physics, University of California, Merced

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• Coupling between Octahedral Tilting, A-site Displacements, and Strain in Inorganic Halide Perovskites.

  ORAL

  March 9, 2018, 12:39 PM – March 9, 2018, 12:51 PM

  Presenters

  • Jonathon Bechtel

    • Univ of California - Santa Barbara

  Authors

  • Jonathon Bechtel

    • Univ of California - Santa Barbara

  • Anton Van der ven

    • Univ of California - Santa Barbara

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• First-Principles Investigation of Cubic Tin and Germanium Sulfides and Selenides for Photovoltaic and Thermoelectric Applications

  ORAL

  March 9, 2018, 12:51 PM – March 9, 2018, 1:03 PM

  Presenters

  • Michael Waters

    • Materials Science and Engineering, University of Michigan

  Authors

  • Michael Waters

    • Materials Science and Engineering, University of Michigan

  • Emmanouil Kioupakis

    • Materials Science & Engineering, Univ of Michigan - Ann Arbor
    • Materials Science and Engineering, University of Michigan
    • University of Michigan
    • Univ of Michigan - Ann Arbor
    • University of Michigan - Ann Arbor

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• BInGaN alloys lattice-matched to GaN for high-power high-efficiency visible LEDs

  ORAL

  March 9, 2018, 1:03 PM – March 9, 2018, 1:15 PM

  Presenters

  • Logan Williams

    • Materials Science & Engineering, Univ of Michigan - Ann Arbor

  Authors

  • Logan Williams

    • Materials Science & Engineering, Univ of Michigan - Ann Arbor

  • Kevin Greenman

    • Chemical Engineering, Univ of Michigan

  • Emmanouil Kioupakis

    • Materials Science & Engineering, Univ of Michigan - Ann Arbor
    • Materials Science and Engineering, University of Michigan
    • University of Michigan
    • Univ of Michigan - Ann Arbor
    • University of Michigan - Ann Arbor

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• Thermodynamic Routes to Novel Stable and Metastable Nitride Semiconductors

  ORAL

  March 9, 2018, 1:15 PM – March 9, 2018, 1:27 PM

  Presenters

  • Wenhao Sun

    • Lawrence Berkeley National Labs

  Authors

  • Wenhao Sun

    • Lawrence Berkeley National Labs

  • Aaron Holder

    • National Renewable Energy Laboratory
    • University of Colorado

  • Bernardo Orvananos

    • Massachusetts Inst of Tech-MIT

  • Elisabetta Arca

    • National Renewable Energy Laboratory

  • Andriy Zakutayev

    • National Renewable Energy Laboratory
    • Colorado School of Mines
    • Natl Renewable Energy Lab

  • Stephan Lany

    • National Renewable Energy Laboratory
    • Natl Renewable Energy Lab
    • NREL

  • Gerbrand Ceder

    • Lawrence Berkeley National Labs

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• First-Principles High-Throughput Analysis of Wide Band Gap Semiconductors for Optical Applications

  ORAL

  March 9, 2018, 1:27 PM – March 9, 2018, 1:39 PM

  Presenters

  • Francesco Naccarato

    • Physics and Materials Science Research Unit, University of Luxembourg

  Authors

  • Francesco Naccarato

    • Physics and Materials Science Research Unit, University of Luxembourg

  • Francesco Ricci

    • Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain

  • Geoffroy Hautier

    • Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain
    • Univ Catholique de Louvain
    • IMCN, Université Catholique de Louvain
    • Université catholique de Louvain

  • Ludger Wirtz

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

  • Gian-Marco Rignanese

    • Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain
    • Univ Catholique de Louvain
    • IMCN, Université Catholique de Louvain
    • Universite Catholique de Louvain

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• <i>A'A"</i>TeBiO₆: A new family of inorganic double perovskite oxides containing bismuth for photovoltaic applications

  ORAL

  March 9, 2018, 1:39 PM – March 9, 2018, 1:51 PM

  Presenters

  • Arashdeep Thind

    • Washington University in St. Louis
    • Institute of Materials Science and Engineering, Washington University in St. Louis

  Authors

  • Arashdeep Thind

    • Washington University in St. Louis
    • Institute of Materials Science and Engineering, Washington University in St. Louis

  • Shalinee Kavadiya

    • Washington University in St. Louis

  • Sung Cho

    • Washington University in St. Louis
    • Mechanical Engineering and Materials Science, Washington University in St. Louis

  • Liang-Yi Lin

    • Washington University in St. Louis

  • Ghanshyam Pilania

    • Materials Science and Technology Division, Los Alamos National Laboratory

  • Pratim Biswas

    • Washington University in St. Louis

  • Rohan Mishra

    • Washington University in St. Louis
    • Mechanical Engineering and Materials Science, Washington University in St. Louis

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• Improved Tolerance Factor for Classifying the Formability of Perovskite Oxides and Halides

  ORAL

  March 9, 2018, 1:51 PM – March 9, 2018, 2:03 PM

  Presenters

  • Christopher Bartel

    • University of Colorado
    • University of Colorado Boulder

  Authors

  • Christopher Bartel

    • University of Colorado
    • University of Colorado Boulder

  • Christopher Sutton

    • Fritz Haber Institute of the Max Planck Society
    • Theory , Fritz-Haber Institute
    • Chemistry, Duke University
    • Theory Department, Fritz Haber Institute

  • Bryan Goldsmith

    • University of Michigan
    • Chemical Engineering, University of Michigan

  • Runhai Ouyang

    • Fritz Haber Institute of the Max Planck Society
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin-Dahlem, Germany

  • Charles Musgrave

    • University of Colorado

  • Luca Ghiringhelli

    • Fritz Haber Institute of the Max Planck Society
    • Theory, Fritz Haber Institute of the Max Planck Society
    • Theory , Fritz-Haber Institute
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin-Dahlem, Germany
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft
    • Theory Department, Fritz Haber Institute

  • Matthias Scheffler

    • Fritz Haber Institute of the Max Planck Society
    • Theory, Fritz Haber Institute of the Max Planck Society
    • Fritz-Haber-Institut der Max-Planck-Gesselschaft
    • Theory , Fritz-Haber Institute
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin-Dahlem, Germany
    • Theory Department, Fritz Haber Institute

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