Li-ion Batteries: Advanced Characterization and Modeling

Presentations

• Numerical Study of X-ray Spectroscopies for Understanding Anionic Redox in Li-ion Battery Compounds through Charge Transfer Hybridization Full Atomic Multiplet Theory

  ORAL

  March 15, 2017, 11:15 AM – March 15, 2017, 11:27 AM

  Authors

  • Ilkyu Lee

    • Stanford Univ
    • Stanford University

  • Chunjing Jia

    • Stanford Univ

  • Yvonne Kung

    • Stanford Univ

  • Brian Moritz

    • Stanford Univ

  • Tom Devereaux

    • Stanford Univ

  View abstract →

• Visualizing redox orbitals and their potentials in olivine materials for advanced lithium-ion batteries

  ORAL

  March 15, 2017, 11:27 AM – March 15, 2017, 11:39 AM

  Authors

  • Hasnain Hafiz

    • Northeastern Univ.

  • K. Suzuki

    • Gunma Univ.

  • B. Barbiellini

    • Northeastern Univ.

  • Y. Orikasa

    • Ritsumeikan Univ.

  • V. Callewaert

    • Univ. Antwerpen

  • S. Kaprzyk

    • Northeastern Univ. and AGH U. of Sc. and Tech.

  • M. Itou

    • J.A.S.R.I.

  • K. Yamamoto

    • Kyoto Univ.

  • R. Yamada

    • Gunma Univ.

  • Y. Uchimoto

    • Kyoto Univ.

  • Y. Sakurai

    • J.A.S.R.I.

  • H. Sakurai

    • Gunma Univ.

  • A. Bansil

    • Northeastern Univ.

  View abstract →

• Novel borate additives for lithium-ion battery cathode passivation investigated with hard x-ray photoelectron spectroscopy

  ORAL

  March 15, 2017, 11:39 AM – March 15, 2017, 11:51 AM

  Authors

  • Stephanie Rivard

    • Rhode Island College

  • Benjamin Young

    • Rhode Island Coll
    • Rhode Island College

  • David Heskett

    • University of Rhode Island

  • Yingnan Dong

    • University of Rhode Island

  • Yongfeng Hu

    • Canadian Light Source

  • Brett Lucht

    • University of Rhode Island

  View abstract →

• Identifying a descriptor for d-orbital delocalization in cathodes of Li batteries based on x-ray Compton scattering

  ORAL

  March 15, 2017, 11:51 AM – March 15, 2017, 12:03 PM

  Authors

  • B. Barbiellini

    • Northeastern U.

  • K. Suzuki

    • Gunma U.

  • Y. Orikasa

    • Kyoto U.

  • S. Kaprzyk

    • Northeastern U. and AGH U. of Sc. and Tech.

  • M. Itou

    • JASRI SPring-8

  • K. Yamamoto

    • Kyoto U.

  • Yung Jui Wang

    • Northeastern U.

  • H. Hafiz

    • Northeastern U.

  • R. Yamada

    • Gunma U.

  • Y. Uchimoto

    • Kyoto U.

  • A. Bansil

    • Northeastern U.

  • Y. Sakurai

    • JASRI SPring-8

  • H. Sakurai

    • Gunma U.

  View abstract →

• Toward better Li-ion batteries: hard x-ray photoelectron spectroscopy investigation of binder materials for Si-based anodes

  ORAL

  March 15, 2017, 12:03 PM – March 15, 2017, 12:15 PM

  Authors

  • Benjamin Young

    • Rhode Island Coll
    • Rhode Island College

  • David Heskett

    • University of Rhode Island

  • Cao Cuong Nguyen

    • University of Rhode Island

  • Joseph Woicik

    • NIST

  • Brett Lucht

    • University of Rhode Island

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• Transmission electron microscopy study investigating Li intercalation in tunnel structured $\zeta $-V$_{\mathrm{2}}$O$_{\mathrm{5}}$ nanowire

  ORAL

  March 15, 2017, 12:15 PM – March 15, 2017, 12:27 PM

  Authors

  • Arijita Mukherjee

    • University Of Illinois At Chicago

  • Hyun Deog Yoo

    • University Of Illinois At Chicago

  • Gene Nolis

    • University Of Illinois At Chicago

  • Justin Andrews

    • Texas A&M University

  • Sarbajit Banerjee

    • Texas A&M University

  • Jordi Cabana

    • University Of Illinois At Chicago

  • Robert Klie

    • University Of Illinois At Chicago

  View abstract →

• Local Lithiation via Nanobattery Probes: Battery Interfaces at the Nanoscale

  ORAL

  March 15, 2017, 12:27 PM – March 15, 2017, 12:39 PM

  Authors

  • Jonathan Larson

    • Univ of Maryland-College Park, Dept. of Physics

  • Alec Talin

    • Sandia National Labs-Livermore, Materials Physics Dept.

  • Alexander Pearse

    • Univ of Maryland-College Park, Dept. of Materials Science & Engineering

  • Janice Reutt-Robey

    • Univ of Maryland-College Park, Dept. of Chemistry & Biochemistry

  View abstract →

• Influence of Valance and Magnetism on the Jahn-Teller Distortion in LiMn2O4 and its Lithiation Process

  ORAL

  March 15, 2017, 12:39 PM – March 15, 2017, 12:51 PM

  Authors

  • yanning Zhang

    • Beijing Computational Science Research Center
    • University of Electronic Science and Technology of China

  • Yanning Zhang

    • Univ of Electronic Sci & Tech

  View abstract →

• Structure, morphology and stability of layered Li(Ni$_{\mathrm{1/3}}$Mn$_{\mathrm{1/3}}$Co$_{\mathrm{1/3}})$O$_{\mathrm{2}}$ surfaces

  ORAL

  March 15, 2017, 12:51 PM – March 15, 2017, 1:03 PM

  Authors

  • Juan Garcia

    • Materials Science Division, Argonne National Laboratory

  • Javier Bareno

    • Chemical Sciences and Engineering Division, Argonne National Laboratory

  • Guoying Chen

    • Energy Storage Group, Lawrence Berkeley National Laboratory

  • Jason Croy

    • Chemical Sciences and Engineering Division, Argonne National Laboratory

  • Hakim Iddir

    • Materials Science Division, Argonne National Laboratory

  View abstract →

• First Principles Modelling Insights into Lithium-Ion Battery Materials including Point Defects.

  ORAL

  March 15, 2017, 1:03 PM – March 15, 2017, 1:15 PM

  Authors

  • Andrew Morris

    • University of Cambridge

  • Clare Grey

    • University of Cambridge

  • Chris Pickard

    • University of Cambridge, Cambridge, UK
    • University of Cambridge

  • Martin Mayo

    • University of Cambridge

  • Kent Griffith

    • University of Cambridge

  View abstract →

• Prediction of novel thermodynamically stable lithium-tin binary compounds at ambient and high pressure.

  ORAL

  March 15, 2017, 1:15 PM – March 15, 2017, 1:27 PM

  Authors

  • Raja Sen

    • Department of Physics, School of Natural Sciences, Shiv Nadar University, India.

  • Priya Johari

    • Department of Physics, School of Natural Sciences, Shiv Nadar University, India.

  View abstract →

• Insight into the limitation of intrinsic capacity of cathode materials for Li-ion batteries

  ORAL

  March 15, 2017, 1:27 PM – March 15, 2017, 1:39 PM

  Authors

  • Peng Zhang

    • Beijing Computational Science Res Ctr

  • Wei Suhuai

    • Beijing Computational Science Res Ctr

  View abstract →

• Mo2C as a high capacity anode material: a first-principles study

  ORAL

  March 15, 2017, 1:39 PM – March 15, 2017, 1:51 PM

  Authors

  • Deniz Cakir

    • Department of Physics and Astrophysics, University of North Dakota, Grand Forks, 58202, ND, USA
    • University of North Dakota

  • Cem SEVIK

    • Department of Mechanical Engineering, Faculty of Engineering, Anadolu University, Eskisehir, TR 26555, Turkey
    • Anadolu University
    • Anadolu University, Mechanical Engineering, Turkey

  • Oguz Gulseren

    • Bilkent Univ
    • Bilkent University
    • Department of Physics, Bilkent University, Bilkent, Ankara 06800, Turkey

  • Francois Peeters

    • Department of Physics, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerpen, Belgium.
    • Department of Physics, University of Antwerp, Groenenborgerlaan 171, 2610 Antwerpen, Belgium
    • Department of Physics, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerpen, Belgium
    • University of Antwerp

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• The Effect of Oxidation and Charge/Discharge rates on Li Plating in All-Solid-State Batteries

  ORAL

  March 15, 2017, 1:51 PM – March 15, 2017, 2:03 PM

  Authors

  • Alexander Yulaev

    • CNST, NIST, Gaithersburg, MD, USA; MSE, UMD, College Park, MD, USA

  • Vladimir Oleshko

    • Materials Science and Engineering Division, NIST, Gaithersburg, MD, USA

  • A. Alec Talin

    • Sandia National Laboratories, Livermore, CA, USA

  • Marina S. Leite

    • Univ of Maryland-College Park
    • Department of Materials Science and Engineering/IREAP, University of Maryland, College Park, MD, USA

  • Andrei Kolmakov

    • Center for Nanoscale Science and Technology, NIST
    • Center for Nanoscale Science and Technology, NIST, Gaithersburg, MD, USA

  View abstract →

• Car-Parrinello molecular dynamics study of the charge-discharge cycle in lithium-ion battery materials

  ORAL

  March 15, 2017, 2:03 PM – March 15, 2017, 2:15 PM

  Authors

  • Y. F. Kung

    • SIMES, SLAC National Accelerator Laboratory and Stanford University

  • C.J. Jia

    • SIMES, SLAC National Accelerator Laboratory and Stanford University

  • W. E. Gent

    • Stanford University

  • I. Lee

    • SIMES, SLAC National Accelerator Laboratory and Stanford University

  • B. Moritz

    • SIMES, SLAC National Accelerator Laboratory

  • T. P. Devereaux

    • SIMES, SLAC National Accelerator Laboratory and Stanford University

  View abstract →