Energy - Lithium Battery Cathodes and Anodes

Presentations

• Understanding Charge Transport and Storage Mechanisms in Electrochemical Energy Storage Devices using in Operando Small Angle Neutron Scattering

  ORAL

  March 7, 2023, 11:00 AM – March 7, 2023, 11:12 AM

  Presenters

  • Lilin He

    Oak Ridge National Lab

  Authors

  • Lilin He

    Oak Ridge National Lab

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• Suppression of dendrite growth with multiple charging modes for fast charge Lithium metal anode using the Lattice Boltzmann Method

  ORAL

  March 7, 2023, 11:12 AM – March 7, 2023, 11:24 AM

  Presenters

  • Zhuolin Xia

    Stony Brook University (SUNY)

  Authors

  • Zhuolin Xia

    Stony Brook University (SUNY)

  • Dilip Gersappe

    Stony Brook University, Stony Brook University(SUNY)

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• Ab-Initio Accuracy at Unprecedented Length and Time Scales for Lithium Metal Simulations using Machine Learning

  ORAL

  March 7, 2023, 11:24 AM – March 7, 2023, 11:36 AM

  Presenters

  • Keith K Phuthi

    Carnegie Mellon University

  Authors

  • Keith K Phuthi

    Carnegie Mellon University

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• Ionic Current in Lithium-Ion Batteries during Rest after Fast Charging

  ORAL

  March 7, 2023, 11:36 AM – March 7, 2023, 11:48 AM

  Publication: Ho, A. S., Parkinson, D. Y., Trask, S. E., Jansen, A. N., & Balsara, N. P. (2022). Measurement of<br>Local Ionic Current in a Lithium-ion Battery during Rest after Fast Charging. manuscript submitted<br>for publication

  Presenters

  • Alec Ho

    University of California, Berkeley

  Authors

  • Alec Ho

    University of California, Berkeley

  • Nitash P Balsara

    University of California, Berkeley

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• Highly oxidized states of oxide-based battery cathodes

  ORAL

  March 7, 2023, 11:48 AM – March 7, 2023, 12:00 PM

  Publication: Zhuo et al., Joule 5, 975 (2021)<br>Zhuo et al., ACS Energy Lett 6, 3417 (2021)

  Presenters

  • Wanli Yang

    Lawrence Berkeley National Labrotary, Lawrence Berkeley National Laboratory

  Authors

  • Wanli Yang

    Lawrence Berkeley National Labrotary, Lawrence Berkeley National Laboratory

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• Oxygen reaction activities in battery materials Li₂MO₃ studied through resonant inelastic soft x-ray spectroscopy (RIXS)

  ORAL

  March 7, 2023, 12:00 PM – March 7, 2023, 12:12 PM

  Publication: Distinct Oxygen Redox Activities in Li2MO3 (M = Mn, Ru, Ir), ACS Energy Lett. 2021, 6, 3417-3424<br>Cycling mechanism of Li2MnO3: Li–CO2 batteries and commonality on oxygen redox in cathode materials,Joule 5, 975–997, 2021

  Presenters

  • Zengqing Zhuo

    Lawrence Berkeley National Lab

  Authors

  • Zengqing Zhuo

    Lawrence Berkeley National Lab

  • Wanli Yang

    Lawrence Berkeley National Labrotary, Lawrence Berkeley National Laboratory

  • Jinghua Guo

    Lawrence Berkeley National Laboratory

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• First-principles investigation of Al₂O₃ cathode coatings on Co and Ni-rich cathodes

  ORAL

  March 7, 2023, 12:12 PM – March 7, 2023, 12:24 PM

  Publication: First-principles investigation of Al2O3 cathode coatings on Co-rich cathodes - planned<br>Mechanisms for Al2O3 Atomic Layer Deposition on LiNiO2 from Ab Initio Calculations - planned

  Presenters

  • M.D. Hashan C Peiris

    Binghamton University

  Authors

  • M.D. Hashan C Peiris

    Binghamton University

  • Manuel Smeu

    Binghamton University - SUNY, McGill Univ, Binghamton University

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• Modeling intercalation chemistry with multiple redox reactions by sparse lattice model

  ORAL

  March 7, 2023, 12:24 PM – March 7, 2023, 12:36 PM

  Publication: [1] P. Zhong, T. Chen, L. Barroso-Luque, F. Xie, and G. Ceder*, "An l0l2-norm regularized regression model for construction of robust cluster expansion in multicomponent systems ", Phys. Rev. B 106, 024203 (2022).<br>[2] L. Barroso-Luque, P. Zhong, J. H. Yang, T. Chen, F. Xie, B. Ouyang, and G. Ceder*, "Cluster expansions of multi-component oxides: Formalism and methods ", Phys. Rev. B 106, 144202 (2022)<br>[3] F. Xie, P. Zhong, L. Barroso-Luque, B. Ouyang, and G. Ceder*, "Grand-canonical Monte-Carlo simulation methods for charge-decorated cluster expansions ", arXiv:2210.0116 (2022).<br>[4] P. Zhong†, F. Xie†, L. Barroso-Luque, L. Huang, and G. Ceder*, "Computational modeling of intercalation chemistry in disordered electrodes with multiple redox reactions ", To be submitted (2022)

  Presenters

  • Peichen Zhong

    University of California, Berkeley

  Authors

  • Peichen Zhong

    University of California, Berkeley

  • Fengyu Xie

    University of California, Berkeley

  • Gerbrand Ceder

    University of California, Berkeley

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• Evaluating Factors Affecting Li-ion Diffusivity in Ru-dopped LiFePO4

  ORAL

  March 7, 2023, 12:36 PM – March 7, 2023, 12:48 PM

  Presenters

  • Bhubnesh Lama

    Department of Physics, South Dakota School of Mines & Technolog

  Authors

  • Bhubnesh Lama

    Department of Physics, South Dakota School of Mines & Technolog

  • Alevtina L Smirnova

    Department of Chemistry, Biology, and Health Sciences, South Dakota School of Mines and Technology, Rapid City, SD 57701

  • Tula R Paudel

    South Dakota School of Mines and Technology, Department of Physics, South Dakota School of Mines and Technology, Rapid City, SD 57701

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• Accurate electronic properties and intercalation voltages of Li-ion cathode materials from extended Hubbard functionals

  ORAL

  March 7, 2023, 12:48 PM – March 7, 2023, 1:00 PM

  Publication: [1] I. Timrov et al., PRB 103, 045141 (2021).<br>[2] I. Timrov et al., PRX Energy, in press, arXiv:2203.15732.

  Presenters

  • Iurii Timrov

    Ecole Polytechnique Federale de Lausanne, THEOS, EPFL; NCCR, MARVEL, École Polytechnique Fédérale de Lausanne

  Authors

  • Iurii Timrov

    Ecole Polytechnique Federale de Lausanne, THEOS, EPFL; NCCR, MARVEL, École Polytechnique Fédérale de Lausanne

  • Francesco Aquilante

    Ecole Polytechnique Federale de Lausanne

  • Matteo Cococcioni

    Department of Physics, University of Pavia, University of Pavia

  • Nicola Marzari

    Ecole Polytechnique Federale de Lausanne, THEOS, EPFL; NCCR MARVEL; LMS, Paul Scherrer Institute, THEOS, EPFL; NCCR MARVEL; LMS, Paul Scherrer Institut, THEOS, EPFL; NCCR, MARVEL; LMS, Paul Scherrer Institut, THEOS, EPFL, THEOS, EPFL; NCCR MARVEL; LSM Paul Scherrer Insitut, THEOS, EPFL; LMS, Paul Scherrer Institut; NCCR MARVEL

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• Sulfurized Polymer Cathodes for Li-S batteries: Mechanisms, Misconceptions, and Metrics

  ORAL

  March 7, 2023, 1:00 PM – March 7, 2023, 1:12 PM

  Presenters

  • Alan Rowland

    Clemson University

  Authors

  • Alan Rowland

    Clemson University

  • Nawraj Sapkota

    Clemson University

  • Shailendra Chiluwal

    Clemson University

  • Prakash Parajuli

    Clemson University

  • Ramakrishna Podila

    Clemson University

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• Sulfurized Polymer Cathodes for Li-S batteries: Mechanisms, Misconceptions, and Metrics

  ORAL

  March 7, 2023, 1:12 PM – March 7, 2023, 1:24 PM

  Presenters

  • Alan Rowland

    Clemson University

  Authors

  • Alan Rowland

    Clemson University

  • Nawraj Sapkota

    Clemson University

  • Shailendra Chiluwal

    Clemson University

  • Ramakrishna Podila

    Clemson University

  • Prakash Parajuli

    Clemson University

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