Advances in Li-ion and Li-S Energy Storage

Presentations

• Probing oxygen stability in NMC battery materials through spectroscopy, microscopy, modeling, and AI/ML

  ORAL

  March 5, 2024, 9:00 AM – March 5, 2024, 9:12 AM

  Publication: [1] L Li, E Lee, JW Freeland, TT Fister, MM Thackeray, MKY Chan, "Identifying the Chemical Origin of Oxygen Redox Activity in Li-Rich Anti-Fluorite Lithium Iron Oxide by Experimental and Theoretical X-ray Absorption Spectroscopy," The journal of physical chemistry letters 10, 806 (2019)
  [2] L Li, et al, "Probing Electrochemically Induced Structural Evolution and Oxygen Redox Reactions in Layered Lithium Iridate," Chemistry of Materials 31, 4341 (2019).
  [3] Y Chen, C Chen, I Hwang, MJ Davis, W Yang, C Sun, SP Ong, MKY Chan, "Robust Machine Learning Inference from X-ray Absorption Near Edge Spectra through Featurization," arXiv preprint arXiv:2310.07049 (2023).
  [4] E Schwenker, VSC Kolluru, et al, "Ingrained: An Automated Framework for Fusing Atomic‐Scale Image Simulations into Experiments," Small 18, 2102960 (2022).
  [5] X Liu, GL Xu, VSC Kolluru, et al, "Origin and regulation of oxygen redox instability in high-voltage battery cathodes," Nature Energy 7, 808 (2022).

  Presenters

  • Maria K Chan

    Argonne National Laboratory

  Authors

  • Yiming Chen

    Argonne National Laboratory

  • Haili Jia

    Argonne National Laboratory

  • Chaitanya Kolluru

    Argonne National Laboratory

  • Guiliang Xu

    Argonne National Laboratory

  • Chengjun Sun

    Argonne National Laboratory

  • Wanli Yang

    Lawrence Berkeley National Laboratory

  • Maria K Chan

    Argonne National Laboratory

  View abstract →

• Electrochemical Activity of Oxygen in Li-ion Battery Cathodes from X-ray Spectroscopy and Modeling

  ORAL

  March 5, 2024, 9:12 AM – March 5, 2024, 9:24 AM

  Presenters

  • Eder G Lomeli

    Stanford University

  Authors

  • Eder G Lomeli

    Stanford University

  • Sean Hsu

    Stanford University

  • Joshua J Kas

    University of Washington

  • John Vinson

    National Institute of Standards and Tech

  • John J Rehr

    University of Washington

  • Wanli Yang

    Lawrence Berkeley National Laboratory

  • Brian Moritz

    SLAC National Accelerator Laboratory

  • Thomas P Devereaux

    Stanford University

  View abstract →

• The Energetic Landscape and Influence of Polarization for Site Swapping in Battery Cathode Materials

  ORAL

  March 5, 2024, 9:24 AM – March 5, 2024, 9:36 AM

  Presenters

  • Emma F Cuddy

    Stanford University

  Authors

  • Emma F Cuddy

    Stanford University

  • Eder G Lomeli

    Stanford University

  • Brian Moritz

    SLAC National Accelerator Laboratory

  • Thomas P Devereaux

    Stanford University

  View abstract →

• Understanding the redox sequence of VFe₂Ox and the role of dopants (Al, Zn, Zr) in shifting capacity and cycling profiles

  ORAL

  March 5, 2024, 9:36 AM – March 5, 2024, 9:48 AM

  Presenters

  • Michelle D Johannes

    United States Naval Research Laboratory

  Authors

  • Michelle D Johannes

    United States Naval Research Laboratory

  • Noam Bernstein

    United States Naval Research Laboratory

  • Michael Swift

    Naval Research Laboratory

  • Ryan DeBlock

    Naval Research Laboratory

  • Jeffrey Long

    Naval Research Laboratory

  • Hunter Ford

    Naval Research Laboratory

  • Rachel Ashmore

    Naval Research Laboratory

  • Debra R Rolison

    Naval Research Laboratory

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• Understanding the redox mechanism of lithium thiophosphates as high-voltage cathode materials

  ORAL

  March 5, 2024, 9:48 AM – March 5, 2024, 10:00 AM

  Presenters

  • Yi-Ting Cheng

    University of Minnesota

  Authors

  • Yi-Ting Cheng

    University of Minnesota

  • Fujii Yuta

    Hokkaido University

  • Yu Nomata

    Hokkaido University

  • Madhulika Mazumder

    University of Minnesota

  • Nataly C Rosero-Navarro

    Hokkaido University

  • Aichi Yamashita

    Tokyo Metropolitan University

  • Yoshikazu Mizuguchi

    Tokyo Metropolitan University

  • Chikako Moriyoshi

    Hiroshima University

  • Takao Mitsudome

    Osaka Metropolitan University

  • Kiyoharu Tadanaga

    Osaka University

  • Akira Miura

    Hokkaido University

  • Christopher Bartel

    University of Minnesota

  View abstract →

• Polyvinylidene fluoride (PVDF) - Trimethyl Aluminum (TMA) Chemistry: First-principles Investigation and Experimental Insights

  ORAL

  March 5, 2024, 10:00 AM – March 5, 2024, 10:12 AM

  Presenters

  • M.D. Hashan C Peiris

    Binghamton University - SUNY

  Authors

  • M.D. Hashan C Peiris

    Binghamton University - SUNY

  • Heran Huang

    Binghamton University - SUNY

  • Hui Zhou

    Binghamton University - SUNY

  • Hao Liu

    Binghamton University - SUNY

  View abstract →

• Improving Solvation Energy Predictions in VASPsol using Machine Learning

  ORAL

  March 5, 2024, 10:12 AM – March 5, 2024, 10:24 AM

  Presenters

  • Eric C Fonseca

    University of Florida

  Authors

  • Eric C Fonseca

    University of Florida

  • Richard G Hennig

    University of Florida

  • Sean Florez

    University of Florida

  View abstract →

• Machine learning interatomic potentials for ionic liquids and battery solvents

  ORAL

  March 5, 2024, 10:24 AM – March 5, 2024, 10:36 AM

  Presenters

  • Zachary A Goodwin

    Harvard University, Imperial College London

  Authors

  • Zachary A Goodwin

    Harvard University, Imperial College London

  • Nicola Molinari

    Harvard University

  • Julia H Yang

    Harvard University

  • Albert Musaelian

    Harvard University

  • Simon L Batzner

    Harvard University

  • Boris Kozinsky

    Harvard University

  View abstract →

• Identification of the key parameters for the organic electrolytes selection for lithium-sulfur batteries

  ORAL

  March 5, 2024, 10:36 AM – March 5, 2024, 10:48 AM

  Publication: Identification of the key parameters for the organic electrolytes selection for lithium-sulfur batteries (planned manuscript)

  Presenters

  • Mihir Parekh

    Clemson University

  Authors

  • Mihir Parekh

    Clemson University

  • Nawraj Sapkota

    Clemson University

  • Brooke Henry

    Clemson University

  • Matthew Everette

    Clemson University

  • Ming Hu

    University of South Carolina

  • Apparao M Rao

    Clemson University

  • Christopher Sutton

    University of South Carolina

  View abstract →

• Voltage Profile Calculation of Sulfur Batteries with ab initio Molecular Dynamics

  ORAL

  March 5, 2024, 10:48 AM – March 5, 2024, 11:00 AM

  Presenters

  • Sihe Chen

    Binghamton University

  Authors

  • Sihe Chen

    Binghamton University

  • M.D. Hashan C Peiris

    Binghamton University - SUNY

  • Manuel Smeu

    Binghamton University - SUNY

  View abstract →

• Novel Polymer Sulfurization for Enhanced Electrochemical Performance in Lithium-Sulfur Cathodes

  ORAL

  March 5, 2024, 11:00 AM – March 5, 2024, 11:12 AM

  Presenters

  • Alan Rowland

    Clemson University

  Authors

  • Alan Rowland

    Clemson University

  • Nawraj Sapkota

    Clemson University

  • Sajib Kumar Mohonta

    Clemson University

  • Ramakrishna Podila

    Clemson University

  View abstract →

• Additively Manufactured Battery Thermal Management Systems (B-TMS): Experimental Investigations and Finite-Element Modeling

  ORAL

  March 5, 2024, 11:12 AM – March 5, 2024, 11:24 AM

  Presenters

  • Shinto Francis

    Clemson University

  Authors

  • Shinto Francis

    Clemson University

  • Sajib Kumar Mohonta

    Clemson University

  • POOJA PUNEET

    Clemson University

  • Ramakrishna Podila

    Clemson University

  View abstract →

• Redox density of states and quantum capacitance in sulfurized polyacrylonitrile

  ORAL

  March 5, 2024, 11:24 AM – March 5, 2024, 11:36 AM

  Presenters

  • Nawraj Sapkota

    Clemson University

  Authors

  • Nawraj Sapkota

    Clemson University

  • Alan Rowland

    Clemson University

  • Ramakrishna Podila

    Clemson University

  View abstract →