Progress in Beyond Li-ion Energy Storage
ORAL · G64 · ID: 2155822
Presentations
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Machine learning modeling of solid electrolyte interphase growth at Li<sub>6</sub>PS<sub>5</sub>Cl/Li-metal contacts
ORAL
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Publication: "Machine learning modeling of solid electrolyte interphase growth at Li6PS5Cl/Li-metal contacts"
Presenters
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Gracie Chaney
CEA Grenoble
Authors
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Gracie Chaney
CEA Grenoble
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Andrei Golov
CIC Energigune
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Javier Carrasco
CIC Energigune
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Ambroise van Roekeghem
CEA Grenoble
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Natalio Mingo
CEA Grenoble
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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
ORAL
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Presenters
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Véronique Brousseau-Couture
Universite de Montreal
Authors
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Véronique Brousseau-Couture
Universite de Montreal
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Surya P Timilsina
Universite de Montreal
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Sascha Zakaib-Bernier
Universite de Montreal
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Michel Côté
Universite de Montreal, Université de Montréal
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Normand Mousseau
Universite de Montreal
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Li-salt dissociation and polymer microstructural changes in composite polymer electrolytes
ORAL
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Presenters
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ERNESTO E MARINERO
Purdue University
Authors
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ERNESTO E MARINERO
Purdue University
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Sebastian Calderon
Purdue University
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Juan C Verduzco
Purdue University
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Javier Castillo
Purdue University
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Regina Y Park
Purdue University
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Praveen Balaji
Indian Institute of Technology
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Yaisa Ramirez
University of Los Andes
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Alex Wei
Purdue University
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Revealing cation-disorder effects on lithium transport in halide superionic conductors
ORAL
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Presenters
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Peichen Zhong
University of California, Berkeley
Authors
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Peichen Zhong
University of California, Berkeley
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Sunny Gupta
Rice University, University of California, Berkeley
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Bowen Deng
University of California, Berkeley
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KyuJung Jun
University of California, Berkeley
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Gerbrand Ceder
University of California, Berkeley
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Density functional theory studies of the ionic transport in V<sub>2</sub>O<sub>5</sub>
ORAL
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Presenters
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Joshua L Ashby
University of Central Florida
Authors
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Joshua L Ashby
University of Central Florida
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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
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Presenters
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Maricris L Mayes
University of Massachusetts Dartmouth
Authors
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Maricris L Mayes
University of Massachusetts Dartmouth
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Benjoe Rey Visayas
University of Massachusetts Dartmouth
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Ahmed Abdulai
University of Massachusetts Dartmouth
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4D-QENS analysis of ionic conduction in SrCl<sub>2</sub>
ORAL
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Presenters
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Jared Coles
Northern Illinois University
Authors
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Jared Coles
Northern Illinois University
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Duck Young Chung
Argonne National Laboratory
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Anjana M Samarakoon
Argonne National Lab
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Daniel M Pajerowski
Oak Ridge National Lab, Oak Ridge National Laboratory
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Matthew J Krogstad
Argonne National Laboratory
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Feng Ye
Oak Ridge National Laboratory
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Omar Chmaissem
Argonne National Laboratory
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Stephan Rosenkranz
Argonne National Laboratory
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Raymond Osborn
Argonne National Laboratory
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Study of sodium containing layered oxides for battery applications
ORAL
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Presenters
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Daisy J Lopez
University of Texas at El Paso
Authors
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Daisy J Lopez
University of Texas at El Paso
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Yohannes W Getahun
University of Texas at El Paso
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Harikrishnan S Nair
University of Texas at El Paso
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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
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Publication: [1] M. Grumet, C. von Scarpatetti, T. Bučko, D. A. Egger, arxiv:2307.10578 [cond-mat] (2023)
Presenters
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Waldemar Kaiser
TU Munich, Department of Physics, Technical University of Munich
Authors
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Waldemar Kaiser
TU Munich, Department of Physics, Technical University of Munich
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Takeru Miyagawa
Technical University of Munich
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Manuel Grumet
Technical University of Munich
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Namita Krishnan
Technical University of Munich
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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
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Presenters
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Mukesh Jakhar
Department of Physics, Central Michigan University, Mt. Pleasant, MI
Authors
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Mukesh Jakhar
Department of Physics, Central Michigan University, Mt. Pleasant, MI
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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
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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
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Shubham Sahoo
Indian Institute of Technology Patna
Authors
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Shubham Sahoo
Indian Institute of Technology Patna
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Subhasmita Kar
IIT Patna, India, Department of Physics, Indian Institute of Technology, Patna - 801106, India
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Puja Kumari
Indian Institute of Technology patna, Department of Physics, Indian Institute of Technology, Patna - 801106, India
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Neelam Gupta
Indian Institute of Technology Patna, Department of Physics, Indian Institute of Technology, Patna - 801106, India
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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
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Sodium-containing layered oxides for solid-state sodium-ion batteries
ORAL
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Publication: Magnetic structure, excitations and short-range order in honeycomb Na2Ni2TeO6
Presenters
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Yohannes W Getahun
University of Texas at El Paso
Authors
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Yohannes W Getahun
University of Texas at El Paso
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Ana C Martinez
The University of Texas at El Paso; Fulbright France
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Alexis Maurel
The University of Texas at El Paso; Fulbright France
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Daisy J Lopez
The University of Texas at El Paso
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Eunja Kim
The University of texas at El Paso (UTEP)
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Eric MacDonald
The University of Texas at El Paso
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Harikrishnan S Nair
University of Texas at El Paso
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