Progress in Beyond Li-ion Energy Storage

Progress in Beyond Li-ion Energy Storage

ORAL · G64 · ID: 2155822

Presentations

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

ORAL

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

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, 12:42 PM – March 5, 2024, 12:54 PM
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
View abstract →
Li-salt dissociation and polymer microstructural changes in composite polymer electrolytes

ORAL

March 5, 2024, 12:54 PM – March 5, 2024, 1:06 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
View abstract →
Revealing cation-disorder effects on lithium transport in halide superionic conductors

ORAL

March 5, 2024, 1:06 PM – March 5, 2024, 1:18 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
View abstract →
Density functional theory studies of the ionic transport in V2O5

ORAL

March 5, 2024, 1:18 PM – March 5, 2024, 1:30 PM
Presenters
- Joshua L Ashby
 
 University of Central Florida
Authors
- Joshua L Ashby
 
 University of Central Florida
- Hartwin Peelaers
 
 University of Kansas
View abstract →
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, 1:30 PM – March 5, 2024, 1:42 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
View abstract →
4D-QENS analysis of ionic conduction in SrCl2

ORAL

March 5, 2024, 1:42 PM – March 5, 2024, 1:54 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
View abstract →
Study of sodium containing layered oxides for battery applications

ORAL

March 5, 2024, 1:54 PM – March 5, 2024, 2:06 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)
View abstract →
Lattice Dynamics and Raman Spectroscopy of Solid-State Ion Conductors with Machine Learning

ORAL

March 5, 2024, 2:06 PM – March 5, 2024, 2:18 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
View abstract →
Theoretical Insights into Single-Atom Catalysts for Improved Cathode Kinetics of Na−S and Na−Se Batteries

ORAL

March 5, 2024, 2:18 PM – March 5, 2024, 2:30 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
View abstract →
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, 2:30 PM – March 5, 2024, 2:42 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, 2:42 PM – March 5, 2024, 2:54 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 →

Progress in Beyond Li-ion Energy Storage

Presentations

Machine learning modeling of solid electrolyte interphase growth at Li<sub>6</sub>PS<sub>5</sub>Cl/Li-metal contacts

Presenters

Authors

Comparison of training approaches for machine-learned interatomic potentials to study diffusion in solid-state electrolytes: application to Li<sub>9</sub>S<sub>3</sub>N

Presenters

Authors

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

Presenters

Authors

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

Presenters

Authors

Density functional theory studies of the ionic transport in V<sub>2</sub>O<sub>5</sub>

Presenters

Authors

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

Presenters

Authors

4D-QENS analysis of ionic conduction in SrCl<sub>2</sub>

Presenters

Authors

Study of sodium containing layered oxides for battery applications

Presenters

Authors

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

Presenters

Authors

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

Presenters

Authors

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

Presenters

Authors

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

Presenters

Authors