Focus Session: Materials for Electrochemical Energy Storage: Beyond Li-ion

Presentations

• Electrochemistry of dioxygen in lithium-air batteries

  COFFEE_KLATCH · Invited

  March 4, 2014, 8:00 AM – March 4, 2014, 8:36 AM

  Authors

  • Laurence Hardwick

    • University of Liverpool

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• First Principles Investigation of Li/Fe-Oxide as a High Energy Material for Hybrid All-in-One Li-ion/Li-O$_{2}$ Batteries

  ORAL

  March 4, 2014, 8:36 AM – March 4, 2014, 8:48 AM

  Authors

  • Alper Kinaci

    • Argonne National Laboratory

  • Lynn Trahey

    • Argonne National Laboratory

  • Michael M. Thackeray

    • Argonne National Laboratory

  • Scott Kirklin

    • Northwestern University

  • Christopher Wolverton

    • Department of Materials Science \& Engineering, Northwestern University
    • Northwestern University

  • Maria Chan

    • Argonne National Laboratory

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• First-principles study on structure stabilities of $\alpha$-S and Na-S battery systems

  ORAL

  March 4, 2014, 8:48 AM – March 4, 2014, 9:00 AM

  Authors

  • Hiroyoshi Momida

    • ISIR, Osaka University

  • Tamio Oguchi

    • ISIR, Osaka University

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• Indirect correlation between superionc sodiums in $\beta $-alumina -First principles molecular dynamic study-

  ORAL

  March 4, 2014, 9:00 AM – March 4, 2014, 9:12 AM

  Authors

  • Kazuo Tsumuraya

    • Meiji University, Kanagawa Japan
    • Meiji University, Kanagawa JAPAN

  • Shoichi Yasuda

    • Meiji University, Kanagawa Japan

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• Structure of Imidazolium-based Ionic Liquids

  ORAL

  March 4, 2014, 9:12 AM – March 4, 2014, 9:24 AM

  Authors

  • Marie-Louise Saboungi

    • IMPMC, Universit\'e Pierre et Marie Curie, 75005 Paris, France and Universite d'Orleans, Orleans, France
    • IMPMC, Universit\'e Pierre et Marie Curie, CNRS-UMR 7590, 75005 Paris and Universite d'Orleans, Orleans, France

  • Miguel Gonz\'alez

    • Institut Laue Langevin, 6 rue Jules Horowitz, BP 156, 38042 Grenoble Cedex 9, France

  • Bachir Aoun

    • Advanced Photon Source, Argonne National Laboratory, IL 60439, USA

  • Oleg Borodin

    • Army Research Laboratory, Adelphi, MD 20783, USA

  • Wesley Henderson

    • North Carolina State University, Raleigh, NC 27695-7905, USA

  • Shinji Kohara

    • JASRI, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198, Japan

  • Maiko Kofu

    • Institute for Solid State Physics, University of Tokyo, Chiba 277-8581, Japan

  • Osamu Yamamuro

    • Institute for Solid State Physics, University of Tokyo, Chiba 277-8581, Japan

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• First principles simulations of structural phase transformations in the solid electrolyte LiBH$_4$ with chemical substitutions

  ORAL

  March 4, 2014, 9:24 AM – March 4, 2014, 9:36 AM

  Authors

  • Noam Bernstein

    • Naval Research Laboratory

  • Khang Hoang

    • North Dakota State University

  • Michelle Johannes

    • Naval Research Laboratory

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• Determination of Raman Spectrum of Li$_{28}$La$_{12}$Zr$_{8}$O$_{48}$ as a Function of Dopant

  ORAL

  March 4, 2014, 9:36 AM – March 4, 2014, 9:48 AM

  Authors

  • Saikat Mukhopadhyay

    • Cornell University
    • Cornell Nanoscale Facility, Cornell University, Ithaca, NY

  • Travis Thompson

    • Department of Chemical Engineering and Materials Science, Michigan State University, East Lansing, MI

  • Jeff Sakamoto

    • Department of Chemical Engineering and Materials Science, Michigan State University, East Lansing, MI

  • Michelle Johannes

    • Naval Research Laboratory, Washington, DC

  • Derek Stewart

    • Cornell Nanoscale Facility, Cornell University, Ithaca, NY

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• First principles modeling of interfaces of lithium (thio) phosphate solid electrolytes and lithium metal anodes

  ORAL

  March 4, 2014, 9:48 AM – March 4, 2014, 10:00 AM

  Authors

  • N.A.W. Holzwarth

    • Wake Forest University

  • N.D. Lepley

    • Wake Forest University

  • A.N.M. Al-Qawasmeh

    • Wake Forest University

  • C.M. Kates

    • Wake Forest University

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• Mechanisms of dendrite formation in Lithium Ion Batteries

  ORAL

  March 4, 2014, 10:00 AM – March 4, 2014, 10:12 AM

  Authors

  • Ning Sun

    • Stony Brook University
    • Dept of Materials Science and Engg, Stony Brook University, Stony Brook NY 11794

  • Dilip Gersappe

    • Dept of Materials Science and Engg, Stony Brook University, Stony Brook NY 11794
    • Dept of Materials Sci and Engg, Stony Brook University, Stony Brook NY 11794

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• Lithium Ion Solvation and Diffusion in Bulk Organic Battery Electrolytes from First Principles Molecular Dynamics

  ORAL

  March 4, 2014, 10:12 AM – March 4, 2014, 10:24 AM

  Authors

  • Mitchell Ong

    • Lawrence Livermore National Lab
    • Lawrence Livermore National Laboratory

  • Vincenzo Lordi

    • Lawrence Livermore National Lab
    • Lawrence Livermore Natl Lab
    • Lawrence Livermore National Laboratory

  • Erik Draeger

    • Lawrence Livermore National Laboratory

  • John Pask

    • Lawrence Livermore National Laboratory

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• First-principles estimates of free energy barriers for Mg desolvation and intercalation at electrolyte/electrode interfaces

  ORAL

  March 4, 2014, 10:24 AM – March 4, 2014, 10:36 AM

  Authors

  • Liwen Wan

    • The Molecular Foundry, Lawrence Berkeley National Laboratory

  • David Prendergast

    • The Molecular Foundry, Lawrence Berkeley National Laboratory

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• Investigation of the Silicon Solid Electrolyte Interface in Lithium Ion Batteries using the Technique of Hard X-Ray Photoelectron Spectroscopy

  ORAL

  March 4, 2014, 10:36 AM – March 4, 2014, 10:48 AM

  Authors

  • Benjamin Young

    • University of Rhode Island

  • David Heskett

    • University of Rhode Island

  • Mengyun Nie

    • University of Rhode Island

  • Brett Lucht

    • University of Rhode Island

  • Joseph Woicik

    • National Institute of Standards and Technology

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