Tuesday, March 16, 2021
8:00AM - 8:12AM
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E61.00001: Nickel Cobalt Manganese (NMC) Cathode with Nanoparticles Additive
Yahya Alqahtani
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Tuesday, March 16, 2021
8:12AM - 8:24AM
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E61.00002: First Principle Studies on the Cycling Mechanism of MnO2 Modified with Bi, Cu, and Mg in Rechargeable Zn/MnO2 Batteries.
Birendra Ale Magar, Nirajan Paudel, Timothy N. Lambert, Igor Vasiliev
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Tuesday, March 16, 2021
8:24AM - 8:36AM
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E61.00003: Phase Transformations of the MnO2 Cathode Material in Rechargeable Zn/MnO2 Batteries: An Ab Initio Study
Igor Vasiliev, Birendra Ale Magar, Nirajan Paudel, Timothy N. Lambert
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Tuesday, March 16, 2021
8:36AM - 8:48AM
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E61.00004: Properties of V2O5 polymorphs from first principles
Sakthi Kasthurirengan, Hartwin Peelaers
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Tuesday, March 16, 2021
8:48AM - 9:00AM
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E61.00005: Accurate intercalation voltages for Li-ion cathodes from Hubbard-extended DFT
Francesco Aquilante, Iurii Timrov, Nicola Marzari
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Tuesday, March 16, 2021
9:00AM - 9:12AM
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E61.00006: Thermodynamics, kinetics and doping effects of Li intercalation in two-dimensional heterostructures for energy storage devices
Aakash Kumar, Diana Qiu
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Tuesday, March 16, 2021
9:12AM - 9:24AM
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E61.00007: Experimental and theoretical advances of high-efficiency RIXS for energy storage materials
Wanli Yang, Thomas Devereaux
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Tuesday, March 16, 2021
9:24AM - 9:36AM
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E61.00008: Li3BO3 and Li3BN2: Computational study of structural and electrolyte properties of pure and doped crystals
Yan Li, Zachary D Hood, Natalie W Holzwarth
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Tuesday, March 16, 2021
9:36AM - 9:48AM
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E61.00009: LiFePO4 battery cathodes with combined polyaniline/carbon nanober additive.
Mohamed Doumbia
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Tuesday, March 16, 2021
9:48AM - 10:00AM
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E61.00010: Influence of Surfaces on the Electrochemical Properties of MnO2 in Rechargeable Zn/MnO2 Batteries
Nirajan Paudel, Birendra Ale Magar, Timothy N. Lambert, Igor Vasiliev
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Tuesday, March 16, 2021
10:00AM - 10:12AM
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E61.00011: Computational modelling studies on discharge of nanoporous LiMn2O4
Phuti Ngoepe, Raesibe S Ledwaba
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Tuesday, March 16, 2021
10:12AM - 10:24AM
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E61.00012: Modeling first stages of solid-electrolyte interphase (SEI) in LiPF6/EC electrolytes using molecular dynamics simulations
Lorena Alzate-Vargas, Srikanth Allu, Jean-Luc Fattebert
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Tuesday, March 16, 2021
10:24AM - 10:36AM
Live
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E61.00013: Optimizing Ionic Transport in Polymer (PEO) – Garnet (LLZO) Composite Solid-State Electrolytes
Juan Carlos Verduzco, Andres Villa, Alejandro Strachan, Jeffrey P. Youngblood, Ernesto Marinero
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Tuesday, March 16, 2021
10:36AM - 10:48AM
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E61.00014: Effect of Li-ion concentration on ionic conductivity of polyethylene oxide-cubic-Li7La3Zr2O12 hybrid composite solid polymer electrolyte films
Parisa Bashiri, Prasada Rao - Talakonda, G. A. Nazri, Ratna Naik, Vaman Naik
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Tuesday, March 16, 2021
10:48AM - 11:00AM
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E61.00015: Understanding ionic diffusivity in (meta)stable (un)doped solid state electrolyte from first principles: A case study of LISICON (Li4SiO4)
Deepika Gill, Saswata Bhattacharya
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