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Non-flammable organic electrolyte for sodium-ion batteries
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Review—Superconcentrated Electrolytes for Lithium Batteries
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Projector augmented-wave method
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December 1994 |
Issues and challenges facing rechargeable lithium batteries
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On the concept of ionicity in ionic liquids
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Superconcentrated electrolytes for a high-voltage lithium-ion battery
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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
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December 1992 |
Safety Issues in Lithium Ion Batteries: Materials and Cell Design
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July 2019 |
Stabilization of Molecular LiF and LiFHF inside Metallamacrocyclic Hosts
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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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Effect of Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: A Molecular Dynamics Study of PEO–LiTFSI
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A grid-based Bader analysis algorithm without lattice bias
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January 2009 |
Design of electrolyte solutions for Li and Li-ion batteries: a review
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November 2004 |
Determination of charge carrier transport parameters in a polymer electrolyte intended for Li-ion batteries using electrochemical impedance analysis
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May 2020 |
Understanding Ion Pairing in High-Salt Concentration Electrolytes Using Classical Molecular Dynamics Simulations and Its Implications for Nonaqueous Li–O 2 Batteries
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March 2018 |
PEO/garnet composite electrolytes for solid-state lithium batteries: From “ceramic-in-polymer” to “polymer-in-ceramic”
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April 2018 |
Application of Static Charge Transfer within an Ionic-Liquid Force Field and Its Effect on Structure and Dynamics
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August 2008 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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March 1995 |
Localized high concentration electrolyte behavior near a lithium–metal anode surface
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January 2019 |
Application of molecular dynamics simulations in molecular property prediction II: Diffusion coefficient
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September 2011 |
Effects of High and Low Salt Concentration in Electrolytes at Lithium–Metal Anode Surfaces
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December 2016 |
A fast and robust algorithm for Bader decomposition of charge density
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June 2006 |
Effective Ionic Radii in Nitrides
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January 1987 |
Electrolyte Design for Fast-Charging Li-Ion Batteries
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April 2020 |
An Attempt to Formulate Nonflammable Lithium Ion Electrolytes with Alkyl Phosphates and Phosphazenes
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January 2002 |
Assessing the Perdew-Burke-Ernzerhof exchange-correlation density functional revised for metallic bulk and surface systems
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May 2008 |
Oxygen Reduction Reaction in Highly Concentrated Electrolyte Solutions of Lithium Bis(trifluoromethanesulfonyl)amide/Dimethyl Sulfoxide
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April 2017 |
The Birth of the Lithium-Ion Battery
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February 2012 |
Development of Many−Body Polarizable Force Fields for Li-Battery Components: 1. Ether, Alkane, and Carbonate-Based Solvents
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March 2006 |
The Li-Ion Rechargeable Battery: A Perspective
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January 2013 |
Are There Stable Ion-Pairs in Room-Temperature Ionic Liquids? Molecular Dynamics Simulations of 1- n -Butyl-3-methylimidazolium Hexafluorophosphate
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November 2009 |
Materials for lithium-ion battery safety
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June 2018 |
Elucidating the Performance Limitations of Lithium-ion Batteries due to Species and Charge Transport through Five Characteristic Parameters
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September 2016 |
Ethylene Carbonate−Li + : A Theoretical Study of Structural and Vibrational Properties in Gas and Liquid Phases
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February 2004 |
A review of lithium ion battery failure mechanisms and fire prevention strategies
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July 2019 |
Dendrite formation in Li-metal anodes: an atomistic molecular dynamics study
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January 2019 |
How we made the Li-ion rechargeable battery
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March 2018 |
Ionic Liquid Based Lithium Battery Electrolytes: Charge Carriers and Interactions Derived by Density Functional Theory Calculations
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June 2011 |
A high-energy-density and long-life lithium-ion battery via reversible oxide–peroxide conversion
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October 2019 |
Ionic association analysis of LiTDI, LiFSI and LiPF 6 in EC/DMC for better Li-ion battery performances
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January 2019 |
Molecular Dynamics Simulation of Li+BF4- in Ethylene Carbonate, Propylene Carbonate, and Dimethyl Carbonate Solvents
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January 1998 |
Quantum Chemistry and Molecular Dynamics Simulation Study of Dimethyl Carbonate: Ethylene Carbonate Electrolytes Doped with LiPF 6
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Uncharted Waters: Super-Concentrated Electrolytes
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January 2020 |
Analysis of a Li-Ion Nanobattery with Graphite Anode Using Molecular Dynamics Simulations
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June 2017 |
Benchmarking lithium amide versus amine bonding by charge density and energy decomposition analysis arguments
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January 2018 |
30 Years of Lithium-Ion Batteries
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June 2018 |
Understanding the interactions of phosphonate-based flame-retarding additives with graphitic anode for lithium ion batteries
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December 2013 |
Polymer-ionic liquid ternary systems for Li-battery electrolytes: Molecular dynamics studies of LiTFSI in a EMIm-TFSI and PEO blend
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July 2015 |
Ion–ion interactions of LiPF6 and LiBF4 in propylene carbonate solutions
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Structure and mechanisms underlying ion transport in ternary polymer electrolytes containing ionic liquids
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February 2017 |
Ionic radii in aqueous solutions
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December 1988 |
Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
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Li-Ion Battery Fire Hazards and Safety Strategies
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August 2018 |
Safer Electrolytes for Lithium-Ion Batteries: State of the Art and Perspectives
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June 2015 |
Effect of LiFSI Concentrations To Form Thickness- and Modulus-Controlled SEI Layers on Lithium Metal Anodes
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April 2018 |
Effect of salts on the electrochemical performance of Mg metal‒organic battery
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August 2019 |
Lithium batteries: Status, prospects and future
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May 2010 |
A highly concentrated phosphate-based electrolyte for high-safety rechargeable lithium batteries
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January 2018 |
Localized High Concentration Electrolytes for High Voltage Lithium–Metal Batteries: Correlation between the Electrolyte Composition and Its Reductive/Oxidative Stability
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July 2020 |
PACKMOL: A package for building initial configurations for molecular dynamics simulations
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October 2009 |
Effect of ion structure on conductivity in lithium-doped ionic liquid electrolytes: A molecular dynamics study
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September 2013 |
Understanding the role of lithium sulfide clusters in lithium–sulfur batteries
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January 2017 |
Crystal chemistry of lithium: oxygen coordination and bonding [Crystal chemistry of lithium: oxygen coordination and bonding]
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April 1991 |
Improved grid-based algorithm for Bader charge allocation
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January 2007 |
Molecular dynamics simulations of the first charge of a Li-ion—Si-anode nanobattery
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March 2017 |
Sulfolane-Based Highly Concentrated Electrolytes of Lithium Bis(trifluoromethanesulfonyl)amide: Ionic Transport, Li-Ion Coordination, and Li–S Battery Performance
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May 2019 |
Mechanisms of lithium transport in amorphous polyethylene oxide
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February 2005 |
Ion Transport and the True Transference Number in Nonaqueous Polyelectrolyte Solutions for Lithium Ion Batteries
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June 2019 |
Molecular dynamics study of propylene carbonate based concentrated electrolyte solutions for lithium ion batteries
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March 2019 |
Electrolyte Effect on the Electrochemical Performance of Mild Aqueous Zinc-Electrolytic Manganese Dioxide Batteries
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September 2019 |
Li-Metal Anode in Dilute Electrolyte LiFSI/TMP: Electrochemical Stability Using Ab Initio Molecular Dynamics
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September 2020 |
Simulations of a LiF Solid Electrolyte Interphase Cracking on Silicon Anodes Using Molecular Dynamics
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January 2018 |
Effect of Salt Concentration on Properties of Lithium Ion Battery Electrolytes: A Molecular Dynamics Study
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March 2018 |
VMD: Visual molecular dynamics
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February 1996 |
Nonflammable Trimethyl Phosphate Solvent-Containing Electrolytes for Lithium-Ion Batteries: I. Fundamental Properties
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January 2001 |
Lithium-Ion Model Behavior in an Ethylene Carbonate Electrolyte Using Molecular Dynamics
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July 2016 |
High rate and stable cycling of lithium metal anode
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February 2015 |