Progress in Beyond Li-ion Energy Storage

Presentations

• Machine learning modeling of solid electrolyte interphase growth at Li₆PS₅Cl/Li-metal contacts

  ORAL

  March 5, 2024, 11:30 AM – March 5, 2024, 11:42 AM

  Publication: "Machine learning modeling of solid electrolyte interphase growth at Li6PS5Cl/Li-metal contacts"

  Presenters

  • Gracie Chaney

    • CEA Grenoble

  Authors

  • Gracie Chaney

    • CEA Grenoble

  • Andrei Golov

    • CIC Energigune

  • Javier Carrasco

    • CIC Energigune

  • Ambroise van Roekeghem

    • CEA Grenoble

  • Natalio Mingo

    • CEA Grenoble

  View abstract →

• Comparison of training approaches for machine-learned interatomic potentials to study diffusion in solid-state electrolytes: application to Li₉S₃N

  ORAL

  March 5, 2024, 11:42 AM – March 5, 2024, 11:54 AM

  Presenters

  • Véronique Brousseau-Couture

    • Universite de Montreal

  Authors

  • Véronique Brousseau-Couture

    • Universite de Montreal

  • Surya P Timilsina

    • Universite de Montreal

  • Sascha Zakaib-Bernier

    • Universite de Montreal

  • Michel Côté

    • Universite de Montreal
    • Université de Montréal

  • Normand Mousseau

    • Universite de Montreal

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• Li-salt dissociation and polymer microstructural changes in composite polymer electrolytes

  ORAL

  March 5, 2024, 11:54 AM – March 5, 2024, 12:06 PM

  Presenters

  • ERNESTO E MARINERO

    • Purdue University

  Authors

  • ERNESTO E MARINERO

    • Purdue University

  • Sebastian Calderon

    • Purdue University

  • Juan C Verduzco

    • Purdue University

  • Javier Castillo

    • Purdue University

  • Regina Y Park

    • Purdue University

  • Praveen Balaji

    • Indian Institute of Technology

  • Yaisa Ramirez

    • University of Los Andes

  • Alex Wei

    • Purdue University

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• Revealing cation-disorder effects on lithium transport in halide superionic conductors

  ORAL

  March 5, 2024, 12:06 PM – March 5, 2024, 12:18 PM

  Presenters

  • Peichen Zhong

    • University of California, Berkeley

  Authors

  • Peichen Zhong

    • University of California, Berkeley

  • Sunny Gupta

    • Rice University
    • University of California, Berkeley

  • Bowen Deng

    • University of California, Berkeley

  • KyuJung Jun

    • University of California, Berkeley

  • Gerbrand Ceder

    • University of California, Berkeley

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• Density functional theory studies of the ionic transport in V₂O₅

  ORAL

  March 5, 2024, 12:18 PM – March 5, 2024, 12:30 PM

  Presenters

  • Joshua L Ashby

    • University of Central Florida

  Authors

  • Joshua L Ashby

    • University of Central Florida

  • Hartwin Peelaers

    • University of Kansas

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• Molecular Dynamics Insights into Vanadium-based Electrolyte Systems for Nonaqueous Redox Flow Battery: The Effect of Alkyl Ammonium Cations and Solvent

  ORAL

  March 5, 2024, 12:30 PM – March 5, 2024, 12:42 PM

  Presenters

  • Maricris L Mayes

    • University of Massachusetts Dartmouth

  Authors

  • Maricris L Mayes

    • University of Massachusetts Dartmouth

  • Benjoe Rey Visayas

    • University of Massachusetts Dartmouth

  • Ahmed Abdulai

    • University of Massachusetts Dartmouth

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• 4D-QENS analysis of ionic conduction in SrCl₂

  ORAL

  March 5, 2024, 12:42 PM – March 5, 2024, 12:54 PM

  Presenters

  • Jared Coles

    • Northern Illinois University

  Authors

  • Jared Coles

    • Northern Illinois University

  • Duck Young Chung

    • Argonne National Laboratory

  • Anjana M Samarakoon

    • Argonne National Lab

  • Daniel M Pajerowski

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory

  • Matthew J Krogstad

    • Argonne National Laboratory

  • Feng Ye

    • Oak Ridge National Laboratory

  • Omar Chmaissem

    • Argonne National Laboratory

  • Stephan Rosenkranz

    • Argonne National Laboratory

  • Raymond Osborn

    • Argonne National Laboratory

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• Study of sodium containing layered oxides for battery applications

  ORAL

  March 5, 2024, 12:54 PM – March 5, 2024, 1:06 PM

  Presenters

  • Daisy J Lopez

    • University of Texas at El Paso

  Authors

  • Daisy J Lopez

    • University of Texas at El Paso

  • Yohannes W Getahun

    • University of Texas at El Paso

  • Harikrishnan S Nair

    • University of Texas at El Paso

  • Eunja Kim

    • The University of texas at El Paso (UTEP)

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• Lattice Dynamics and Raman Spectroscopy of Solid-State Ion Conductors with Machine Learning

  ORAL

  March 5, 2024, 1:06 PM – March 5, 2024, 1:18 PM

  Publication: [1] M. Grumet, C. von Scarpatetti, T. Bučko, D. A. Egger, arxiv:2307.10578 [cond-mat] (2023)

  Presenters

  • Waldemar Kaiser

    • TU Munich
    • Department of Physics, Technical University of Munich

  Authors

  • Waldemar Kaiser

    • TU Munich
    • Department of Physics, Technical University of Munich

  • Takeru Miyagawa

    • Technical University of Munich

  • Manuel Grumet

    • Technical University of Munich

  • Namita Krishnan

    • Technical University of Munich

  • David A Egger

    • Physics Department, TUM School of Natural Sciences, Technical University of Munich
    • Department of Physics, Technical University of Munich

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• Theoretical Insights into Single-Atom Catalysts for Improved Cathode Kinetics of Na−S and Na−Se Batteries

  ORAL

  March 5, 2024, 1:18 PM – March 5, 2024, 1:30 PM

  Presenters

  • Mukesh Jakhar

    • Department of Physics, Central Michigan University, Mt. Pleasant, MI

  Authors

  • Mukesh Jakhar

    • Department of Physics, Central Michigan University, Mt. Pleasant, MI

  • Veronica Barone

    • Department of Physics, Central Michigan University, Mt. Pleasant, MI

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• Structural and electronic properties of pristine and chalcogen vacant 2H Janus XSeTe(X=W, V) monolayers and their heterostructures for potential use as an anode for metal ion battery

  ORAL

  March 5, 2024, 1:30 PM – March 5, 2024, 1:42 PM

  Publication: 1. Sharma, A., Khan, M.S., Khan, M.S., Husain, M.: Ab initio study of molybdenum sulfo-selenides alloy as a flexible anode for sodium-ion batteries. Applied Surface Science 536, 147973 (2021).
  2. Pople, J. A.; Gill, P. M.; Johnson, B. G. Kohn—Sham density-functional theory within a finite basis set. Chemical Physics Letters 1992, 199, 557–560.
  3. H. Mehdipour, P. Kratzer, Structural defects in a Janus MoSSe monolayer: A density functional theory study, Physical Review B 106 (23) (2022) 235414.

  Presenters

  • Shubham Sahoo

    • Indian Institute of Technology Patna

  Authors

  • Shubham Sahoo

    • Indian Institute of Technology Patna

  • Subhasmita Kar

    • IIT Patna, India
    • Department of Physics, Indian Institute of Technology, Patna - 801106, India

  • Puja Kumari

    • Indian Institute of Technology patna
    • Department of Physics, Indian Institute of Technology, Patna - 801106, India

  • Neelam Gupta

    • Indian Institute of Technology Patna
    • Department of Physics, Indian Institute of Technology, Patna - 801106, India

  • Soumya Jyoti J Ray

    • IIT Patna
    • Indian Institute of Technology Patna, Bihta, Bihar-801106
    • Indian Institute of Technology Patna
    • Indian Institute Of Technology Patna
    • Department of Physics, Indian Institute of Technology Patna, Bihta 801106, India
    • Department of Physics, Indian Institute of Technology Patna, Bihta 801106
    • Department of Physics, Indian Institute of Technology, Patna - 801106, India

  View abstract →

• Sodium-containing layered oxides for solid-state sodium-ion batteries

  ORAL

  March 5, 2024, 1:42 PM – March 5, 2024, 1:54 PM

  Publication: Magnetic structure, excitations and short-range order in honeycomb Na2Ni2TeO6

  Presenters

  • Yohannes W Getahun

    • University of Texas at El Paso

  Authors

  • Yohannes W Getahun

    • University of Texas at El Paso

  • Ana C Martinez

    • The University of Texas at El Paso; Fulbright France

  • Alexis Maurel

    • The University of Texas at El Paso; Fulbright France

  • Daisy J Lopez

    • The University of Texas at El Paso

  • Eunja Kim

    • The University of texas at El Paso (UTEP)

  • Eric MacDonald

    • The University of Texas at El Paso

  • Harikrishnan S Nair

    • University of Texas at El Paso

  View abstract →