Effect of electrolytes on the structure and evolution of the solid electrolyte interphase (SEI) in Li-ion batteries: A molecular dynamics study
Adri van Duin
Journal of Power Sources, 2011
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Towards a Mechanistic Model of Solid-Electrolyte Interphase Formation and Evolution in Lithium-ion Batteries
Ronald Kam
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Ab initio molecular dynamics simulations of the initial stages of solid-electrolyte interphase formation on lithium ion battery graphitic anodes
Kevin Leung
Physical chemistry chemical physics : PCCP, 2010
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Effects of Structural Substituents on the Electrochemical Decomposition of Carbonyl Derivatives and Formation of the Solid–Electrolyte Interphase in Lithium-Ion Batteries
Joeri Van Mierlo
Energies
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Comparative Study of Ethylene Carbonate-Based Electrolyte Decomposition at Li, Ca, and Al Anode Interfaces
Joshua Young
ACS Applied Energy Materials, 2019
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Toward a Mechanistic Model of SolidElectrolyte Interphase Formation and Evolution in Lithium-Ion Batteries
Ronald Kam
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Interfaces and Materials in Lithium Ion Batteries: Challenges for Theoretical Electrochemistry
Isidora Cekic-laskovic
Topics in current chemistry (Cham), 2018
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Reactive molecular dynamics simulations of Lithium-ion battery electrolyte degradation
Nehzat Safaei
2024
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On the first coordination shell of lithium ion in linear carbonate solvents as electrolyte model for lithium-ion batteries: a computational study
Habib Ashassi
Ionics, 2019
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Impact of the electrolyte salt anion on the solid electrolyte interphase formation in sodium ion batteries
Stefano Passerini
Nano Energy, 2019
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Modeling Insight into Battery Electrolyte Electrochemical Stability and Interfacial Structure
Jenel Vatamanu
Accounts of chemical research, 2017
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Computational Studies of Interfacial Reactions at Anode Materials: Initial Stages of the Solid-Electrolyte-Interphase Layer Formation
Jorge Seminario
Journal of Electrochemical Energy Conversion and Storage, 2016
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Solvation and Dynamics of Sodium and Potassium in Ethylene Carbonate from ab Initio Molecular Dynamics Simulations
Vincenzo Lordi
The Journal of Physical Chemistry C, 2017
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Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries
Hugo Celio
Nature Communications
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Lithium Diffusion Mechanism through Solid–Electrolyte Interphase in Rechargeable Lithium Batteries
Marco Ragone
The Journal of Physical Chemistry C, 2019
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Theoretical Studies To Understand Surface Chemistry on Carbon Anodes for Lithium-Ion Batteries: Reduction Mechanisms of Ethylene Carbonate
Perla Balbuena
Journal of the American Chemical Society, 2001
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Recent progress in theoretical and computational investigations of Li-ion battery materials and electrolytes
Colm O'Dwyer
Phys. Chem. Chem. Phys., 2015
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A Review on the Molecular Modeling of Argyrodite Electrolytes for All-Solid-State Lithium Batteries
sammy ojo
Energies
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Stability of Calcium Ion Battery Electrolytes: Predictions from Ab Initio Molecular Dynamics Simulations
Bryan M Wong
ACS Applied Materials & Interfaces
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Molecular-Level Insights into the Reactivity of Siloxane-Based Electrolytes at a Lithium-Metal Anode
Deia Abd El-Hady
ChemPhysChem, 2014
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Role of atomic level simulation in development of batteries
Yuhua Duan
Journal of Power Sources, 2002
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Reductive Decomposition Reactions of Ethylene Carbonate by Explicit Electron Transfer from Lithium: An eReaxFF Molecular Dynamics Study
mahbubul islam
The Journal of Physical Chemistry C, 2016
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Solvent Decompositions and Physical Properties of Decomposition Compounds in Li-Ion Battery Electrolytes Studied by DFT Calculations and Molecular Dynamics Simulations
Ken Tasaki
The Journal of Physical Chemistry B, 2005
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Computational materials discovery and development for Li and non-Li advanced battery chemistries
aqsa nazir
Journal of Electrochemical Science and Engineering
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Unveiling the First Nucleation and Growth Steps of Inorganic Solid Electrolyte Interphase Components
Jorge Seminario
Journal of Physical Chemistry C, 2018
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Ionic conductivity and mechanical properties of the solid electrolyte interphase in lithium metal batteries
Energy Materials, Min-Sik Park, Janghyuk Moon
Energy Materials, 2022
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Using Atomic Layer Deposition to Hinder Solvent Decomposition in Lithium Ion Batteries: First-Principles Modeling and Experimental Studies
Kevin Zavadil
Journal of the American Chemical Society, 2011
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On the difference in cycling behaviors of lithium-ion battery cell between the ethylene carbonate- and propylene carbonate-based electrolytes
Ken Tasaki
Electrochimica Acta, 2011
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In operando measurements of kinetics of solid electrolyte interphase formation in lithium-ion batteries
Quoc Thai Pham
Journal of Power Sources, 2018
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Materials for Lithium Ion Batteries: Challenges for Numerical Simulations
Matteo Baldoni
Zeitschrift für Physikalische Chemie, 2012
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Complex Ion Dynamics in Carbonate Lithium-Ion Battery Electrolytes
Vincenzo Lordi
The Journal of Physical Chemistry C, 2017
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Phase evolution for conversion reaction electrodes in lithium-ion batteries
Dennis Nordlund
Nature Communications, 2014
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