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Energy Research -- Energy Storage I

ORAL · E61 · ID: 380415

Presentations

  • First Principle Studies on the Cycling Mechanism of MnO<sub>2</sub> Modified with Bi, Cu, and Mg in Rechargeable Zn/MnO<sub>2</sub> Batteries.

    ORAL

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    Presenters

    • Birendra Ale Magar

      New Mexico State University, Department of Physics, New Mexico State University, Las Cruces, NM

    Authors

    • Birendra Ale Magar

      New Mexico State University, Department of Physics, New Mexico State University, Las Cruces, NM

    • Nirajan Paudel

      New Mexico State University, Department of Physics, New Mexico State University, Las Cruces, NM

    • Timothy N. Lambert

      Department of Photovoltaics and Materials Technologies, Sandia National Laboratory, Sandia National Laboratories, Department of Photovoltaics and Materials Technologies, Sandia National Laboratories, Albuquerque, New Mexico 87185, USA

    • Igor Vasiliev

      New Mexico State University, Department of Physics, New Mexico State University, Las Cruces, NM

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  • Phase Transformations of the MnO<sub>2</sub> Cathode Material in Rechargeable Zn/MnO<sub>2</sub> Batteries: An <i>Ab Initio</i> Study

    ORAL

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    Presenters

    • Igor Vasiliev

      New Mexico State University, Department of Physics, New Mexico State University, Las Cruces, NM

    Authors

    • Igor Vasiliev

      New Mexico State University, Department of Physics, New Mexico State University, Las Cruces, NM

    • Birendra Ale Magar

      New Mexico State University, Department of Physics, New Mexico State University, Las Cruces, NM

    • Nirajan Paudel

      New Mexico State University, Department of Physics, New Mexico State University, Las Cruces, NM

    • Timothy N. Lambert

      Department of Photovoltaics and Materials Technologies, Sandia National Laboratory, Sandia National Laboratories, Department of Photovoltaics and Materials Technologies, Sandia National Laboratories, Albuquerque, New Mexico 87185, USA

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  • Accurate intercalation voltages for Li-ion cathodes from Hubbard-extended DFT

    ORAL

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    Presenters

    • Francesco Aquilante

      Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, CH-1015 Lausanne, Switzerland

    Authors

    • Francesco Aquilante

      Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, CH-1015 Lausanne, Switzerland

    • Iurii Timrov

      Ecole Polytechnique Federale de Lausanne, Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne (E, Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, CH-1015 Lausanne, Switzerland

    • Nicola Marzari

      Ecole Polytechnique Federale de Lausanne, Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne, École Polytechnique Fédérale de Lausanne, Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne,, Theory and Simulation of Materials (THEOS), Faculté des Sciences et Techniques de l’Ingénieur, École Polytechnique Fédérale de Lausanne, THEOS, EPFL, École Polytechnique Fédérale de Lausanne (EPFL), Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne (E, Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, CH-1015 Lausanne, Switzerland, Theory and simulation of materials (THEOS), National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, Materials Engineering, EPFL, Theory and Simulations of Materials (THEOS), and National Center for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne

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  • Thermodynamics, kinetics and doping effects of Li intercalation in two-dimensional heterostructures for energy storage devices

    ORAL

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    Presenters

    • Aakash Kumar

      Yale University

    Authors

    • Aakash Kumar

      Yale University

    • Diana Qiu

      Yale University, Department of Mechanical Engineering and Materials Science, Yale University, Mechanical Engineering and Materials Science, Yale University, School of Engineering and Applied Physics, Yale University

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  • Experimental and theoretical advances of high-efficiency RIXS for energy storage materials

    ORAL

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    Presenters

    • Wanli Yang

      Lawrence Berkeley National Laboratory

    Authors

    • Wanli Yang

      Lawrence Berkeley National Laboratory

    • Thomas Devereaux

      Stanford Univ, SLAC, Stanford, Stanford University, Stanford Institute for Materials and Energy Sciences, SLAC - Natl Accelerator Lab, SLAC National Accelerator Laboratory, Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory and Stanford University, SIMES, SLAC, SLAC

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  • Influence of Surfaces on the Electrochemical Properties of MnO<sub>2</sub> in Rechargeable Zn/MnO<sub>2</sub> Batteries

    ORAL

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    Presenters

    • Nirajan Paudel

      New Mexico State University

    Authors

    • Nirajan Paudel

      New Mexico State University

    • Birendra Ale Magar

      New Mexico State University, Department of Physics, New Mexico State University, Las Cruces, NM

    • Timothy N. Lambert

      Department of Photovoltaics and Materials Technologies, Sandia National Laboratory, Sandia National Laboratories, Department of Photovoltaics and Materials Technologies, Sandia National Laboratories, Albuquerque, New Mexico 87185, USA

    • Igor Vasiliev

      New Mexico State University, Department of Physics, New Mexico State University, Las Cruces, NM

    View abstract →

  • Modeling first stages of solid-electrolyte interphase (SEI) in LiPF<sub>6</sub>/EC electrolytes using molecular dynamics simulations

    ORAL

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    Presenters

    • Lorena Alzate-Vargas

      Computational Science and Engineering Division, Oak Ridge National Lab

    Authors

    • Lorena Alzate-Vargas

      Computational Science and Engineering Division, Oak Ridge National Lab

    • Srikanth Allu

      Computational Science and Engineering Division, Oak Ridge National Lab

    • Jean-Luc Fattebert

      Oak Ridge National Lab, Computational Science and Engineering Division, Oak Ridge National Lab

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  • Optimizing Ionic Transport in Polymer (PEO) – Garnet (LLZO) Composite Solid-State Electrolytes

    ORAL

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    Presenters

    • Juan Carlos Verduzco

      School of Materials Engineering, Purdue University

    Authors

    • Juan Carlos Verduzco

      School of Materials Engineering, Purdue University

    • Andres Villa

      School of Materials Engineering, Purdue University

    • Alejandro Strachan

      School of Materials Engineering and Birck Nanotechnology Center, Purdue University, Purdue University, School of Materials Engineering, Purdue University

    • Jeffrey P. Youngblood

      School of Materials Engineering, Purdue University

    • Ernesto Marinero

      School of Materials Engineering, Purdue University

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  • Effect of Li-ion concentration on ionic conductivity of polyethylene oxide-cubic-Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub> hybrid composite solid polymer electrolyte films

    ORAL

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    Presenters

    • Parisa Bashiri

      Physics and Astronomy, Wayne State University

    Authors

    • Parisa Bashiri

      Physics and Astronomy, Wayne State University

    • Prasada Rao - Talakonda

      Physics and Astronomy, Wayne State University

    • G. A. Nazri

      Physics and Astronomy, Wayne State University

    • Ratna Naik

      Physics and Astronomy, Wayne State University

    • Vaman Naik

      Natural Sciences, University of Michigan-Dearborn

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  • Understanding ionic diffusivity in (meta)stable (un)doped solid state electrolyte from first principles: A case study of LISICON (Li<sub>4</sub>SiO<sub>4</sub>)

    ORAL

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    Presenters

    • Deepika Gill

      Physics, Indian Institute of technology, Delhi

    Authors

    • Deepika Gill

      Physics, Indian Institute of technology, Delhi

    • Saswata Bhattacharya

      Indian Institute of Technology Delhi (IIT), Department of Physics, Indian Institute of Technology Delhi, Indian Inst of Tech-New Delhi, Physics, Indian Institute of Technology Delhi, Physics, Indian Institute of Technology Delhi (IIT), Physics, Indian Institute of technology, Delhi

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