Energy Research -- Energy Storage I

Presentations

• Nickel Cobalt Manganese (NMC) Cathode with Nanoparticles Additive

  ORAL

  March 16, 2021, 8:00 AM – March 16, 2021, 8:12 AM

  Presenters

  • Yahya Alqahtani

    • Howard University

  Authors

  • Yahya Alqahtani

    • Howard University

  View abstract →

• First Principle Studies on the Cycling Mechanism of MnO₂ Modified with Bi, Cu, and Mg in Rechargeable Zn/MnO₂ Batteries.

  ORAL

  March 16, 2021, 8:12 AM – March 16, 2021, 8:24 AM

  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

  View abstract →

• Phase Transformations of the MnO₂ Cathode Material in Rechargeable Zn/MnO₂ Batteries: An <i>Ab Initio</i> Study

  ORAL

  March 16, 2021, 8:24 AM – March 16, 2021, 8:36 AM

  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

  View abstract →

• Properties of V₂O₅ polymorphs from first principles

  ORAL

  March 16, 2021, 8:36 AM – March 16, 2021, 8:48 AM

  Presenters

  • Sakthi Kasthurirengan

    • University of Kansas

  Authors

  • Sakthi Kasthurirengan

    • University of Kansas

  • Hartwin Peelaers

    • Department of Physics and Astronomy, University of Kansas
    • 2. Department of Physics and Astronomy, University of Kansas
    • University of Kansas

  View abstract →

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

  ORAL

  March 16, 2021, 8:48 AM – March 16, 2021, 9:00 AM

  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

  View abstract →

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

  ORAL

  March 16, 2021, 9:00 AM – March 16, 2021, 9:12 AM

  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

  View abstract →

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

  ORAL

  March 16, 2021, 9:12 AM – March 16, 2021, 9:24 AM

  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

  View abstract →

• Li₃BO₃ and Li₃BN₂: Computational study of structural and electrolyte properties of pure and doped crystals

  ORAL

  March 16, 2021, 9:24 AM – March 16, 2021, 9:36 AM

  Presenters

  • Yan Li

    • Department of Physics, Wake Forest University

  Authors

  • Yan Li

    • Department of Physics, Wake Forest University

  • Zachary D Hood

    • Applied Materials Division, Argonne National Laboratory

  • Natalie W Holzwarth

    • Department of Physics, Wake Forest University

  View abstract →

• LiFePO₄ battery cathodes with combined polyaniline/carbon nanober additive.

  ORAL

  March 16, 2021, 9:36 AM – March 16, 2021, 9:48 AM

  Presenters

  • Mohamed Doumbia

    • Howard University

  Authors

  • Mohamed Doumbia

    • Howard University

  View abstract →

• Influence of Surfaces on the Electrochemical Properties of MnO₂ in Rechargeable Zn/MnO₂ Batteries

  ORAL

  March 16, 2021, 9:48 AM – March 16, 2021, 10:00 AM

  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 →

• Computational modelling studies on discharge of nanoporous LiMn2O4

  ORAL

  March 16, 2021, 10:00 AM – March 16, 2021, 10:12 AM

  Presenters

  • Phuti Ngoepe

    • University of Limpopo

  Authors

  • Phuti Ngoepe

    • University of Limpopo

  • Raesibe S Ledwaba

    • University of Limpopo

  View abstract →

• Modeling first stages of solid-electrolyte interphase (SEI) in LiPF₆/EC electrolytes using molecular dynamics simulations

  ORAL

  March 16, 2021, 10:12 AM – March 16, 2021, 10:24 AM

  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

  View abstract →

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

  ORAL

  March 16, 2021, 10:24 AM – March 16, 2021, 10:36 AM

  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

  View abstract →

• Effect of Li-ion concentration on ionic conductivity of polyethylene oxide-cubic-Li₇La₃Zr₂O₁₂ hybrid composite solid polymer electrolyte films

  ORAL

  March 16, 2021, 10:36 AM – March 16, 2021, 10:48 AM

  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

  View abstract →

• Understanding ionic diffusivity in (meta)stable (un)doped solid state electrolyte from first principles: A case study of LISICON (Li₄SiO₄)

  ORAL

  March 16, 2021, 10:48 AM – March 16, 2021, 11:00 AM

  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

  View abstract →