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Molecular dynamics simulation of the polymer electrolyte poly(ethylene oxide)/LiClO4. II. Dynamical properties

https://doi.org/10.1063/1.2400221
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/jcc.1033openalex-snapshot
Ab initioquantum chemistry and molecular dynamics simulations studies of LiPF6/poly(ethylene oxide) interactions
inferredcites →https://doi.org/10.1002/jcc.540110311openalex-snapshot
Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis
inferredcites →https://doi.org/10.1016/0013-4686(92)80115-3openalex-snapshot
Comparative study of poly(ethylene oxide) electrolytes made with LiN(CF3SO2)2, LiCF3SO3 and LiClO4: Thermal properties and conductivity behaviour
inferredcites →https://doi.org/10.1016/0167-2738(86)90124-4openalex-snapshot
Ion transport and thermal properties of poly(ethylene oxide) - LiClO4 polymer electrolytes
inferredcites →https://doi.org/10.1016/0167-2738(86)90130-xopenalex-snapshot
NMR, DSC, and conductivity study of a poly(ethylene oxide) complex electrolyte : PEO(LiClO4)x
inferredcites →https://doi.org/10.1016/0167-2738(91)90185-eopenalex-snapshot
A carbon-13 and lithium-6 nuclear magnetic resonance study of lithium perchlorate/poly (ethylene oxide) electrolytes
inferredcites →https://doi.org/10.1016/0167-2738(93)90268-8openalex-snapshot
The effect of molecular weight on cation mobility in polymer electrolytes
inferredcites →https://doi.org/10.1016/0167-2738(96)00330-xopenalex-snapshot
Performance of Bellcore's plastic rechargeable Li-ion batteries
inferredcites →https://doi.org/10.1016/j.ssi.2003.08.051openalex-snapshot
FT-IR investigations of ion association in PEO–MSCN (M=Na, K) polymer electrolytes
inferredcites →https://doi.org/10.1016/s0013-4686(00)00755-6openalex-snapshot
Nuclear magnetic resonance study of PEO-based composite polymer electrolytes
inferredcites →https://doi.org/10.1016/s0013-4686(00)00776-3openalex-snapshot
On the dynamics of PEO-NaI polymer electrolytes
inferredcites →https://doi.org/10.1016/s0013-4686(03)00211-1openalex-snapshot
A spectroscopic and conductivity comparison study of linear poly(N-methylethylenimine) with lithium triflate and sodium triflate
inferredcites →https://doi.org/10.1016/s0013-4686(97)10092-5openalex-snapshot
Infrared and Raman study of the PEO-LiTFSI polymer electrolyte
inferredcites →https://doi.org/10.1016/s0013-4686(99)00358-8openalex-snapshot
Neutron diffraction investigations of the cation coordination in an amorphous polymer electrolyte, PPOLiClO4
inferredcites →https://doi.org/10.1016/s0167-2738(02)00026-7openalex-snapshot
Coherent neutron scattering from PEO and a PEO-based polymer electrolyte
inferredcites →https://doi.org/10.1016/s0167-2738(02)00055-3openalex-snapshot
A comparison of Li+ transport in dimethoxyethane, poly(ethylene oxide) and poly(tetramethylene oxide) by molecular dynamics simulations
inferredcites →https://doi.org/10.1016/s0167-2738(02)00056-5openalex-snapshot
Molecular dynamics study of the influence of the polarizability in PEOx–NaI polymer electrolyte systems
inferredcites →https://doi.org/10.1016/s0167-2738(02)00364-8openalex-snapshot
Diffusion: a comparison between liquid and solid polymer LiTFSI electrolytes
inferredcites →https://doi.org/10.1016/s0921-4526(01)00531-2openalex-snapshot
Dynamic heterogeneity in polymer electrolytes. Comparison between QENS data and MD simulations
inferredcites →https://doi.org/10.1021/cm0116673openalex-snapshot
Ab Initio Structure Solution of the Polymer Electrolyte Poly(ethylene oxide)3:LiAsF6
inferredcites →https://doi.org/10.1021/cr020705eopenalex-snapshot
Introduction: Batteries and Fuel Cells
inferredcites →https://doi.org/10.1021/cr030203gopenalex-snapshot
Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries
inferredcites →https://doi.org/10.1021/j100084a047openalex-snapshot
Molecular Structure and Dynamics of LiClO4-Polyethylene Oxide-400 (Dimethyl Ether and Diglycol Systems) at 25 .degree.C
inferredcites →https://doi.org/10.1021/j100151a021openalex-snapshot
Force field for simulations of 1,2-dimethoxyethane and poly(oxyethylene) based upon ab initio electronic structure calculations on model molecules
inferredcites →https://doi.org/10.1021/j100373a077openalex-snapshot
A Monte Carlo simulation of liquid 1,2-dimethoxyethane
inferredcites →https://doi.org/10.1021/j100389a010openalex-snapshot
DREIDING: a generic force field for molecular simulations
inferredcites →https://doi.org/10.1021/j100852a025openalex-snapshot
Surface tension of polymer liquids
inferredcites →https://doi.org/10.1021/ja00299a024openalex-snapshot
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
inferredcites →https://doi.org/10.1021/ja990507dopenalex-snapshot
Li+−(Diglyme)2 and LiClO4−Diglyme Complexes: Barriers to Lithium Ion Migration
inferredcites →https://doi.org/10.1021/jp000082dopenalex-snapshot
Ion Association and Ion Solvation Effects at the Crystalline−Amorphous Phase Transition in PEO−LiTFSI
inferredcites →https://doi.org/10.1021/jp0275387openalex-snapshot
MD Simulations and Experimental Study of Structure, Dynamics, and Thermodynamics of Poly(ethylene oxide) and Its Oligomers
inferredcites →https://doi.org/10.1021/jp027539zopenalex-snapshot
Force Field Development and MD Simulations of Poly(ethylene oxide)/LiBF4 Polymer Electrolytes
inferredcites →https://doi.org/10.1021/jp035836dopenalex-snapshot
LiClO4 Electrolyte Solvate Structures
inferredcites →https://doi.org/10.1021/jp961417nopenalex-snapshot
Quantum Chemistry Study of the Interactions of Li+, Cl-, and I- Ions with Model Ethers
inferredcites →https://doi.org/10.1021/ma000452wopenalex-snapshot
A Study of the Influence of LiI on the Chain Conformations of Poly(ethylene oxide) in the Melt by Small-Angle Neutron Scattering and Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1021/ma001749xopenalex-snapshot
Local Structures in Crystalline and Amorphous Phases of Diglyme−LiCF3SO3and Poly(ethylene oxide)−LiCF3SO3Systems: Implications for the Mechanism of Ionic Transport
inferredcites →https://doi.org/10.1021/ma012102vopenalex-snapshot
Far-Infrared Spectroscopy of the Poly(ethylene oxide)x−LiCF3SO3 System
inferredcites →https://doi.org/10.1021/ma012139fopenalex-snapshot
Ionic Conduction Mechanism of PEO-Type Polymer Electrolytes Investigated by the Carrier Diffusion Phenomenon Using PGSE-NMR
inferredcites →https://doi.org/10.1021/ma052277vopenalex-snapshot
Mechanism of Ion Transport in Amorphous Poly(ethylene oxide)/LiTFSI from Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1021/ma980838vopenalex-snapshot
Molecular Dynamics Simulations of Poly(ethylene oxide)/LiI Melts. 1. Structural and Conformational Properties
inferredcites →https://doi.org/10.1021/ma991429hopenalex-snapshot
Molecular Dynamics Simulations of Poly(ethylene oxide)/LiI Melts. 2. Dynamic Properties
inferredcites →https://doi.org/10.1038/35012032openalex-snapshot
Relaxation in polymer electrolytes on the nanosecond timescale
inferredcites →https://doi.org/10.1038/35087538openalex-snapshot
Ionic conductivity in crystalline polymer electrolytes
inferredcites →https://doi.org/10.1038/35104644openalex-snapshot
Issues and challenges facing rechargeable lithium batteries
inferredcites →https://doi.org/10.1039/b206281jopenalex-snapshot
Molecular dynamics simulation of the effect of a side chain on the dynamics of the amorphous LiPF6–PEO system
inferredcites →https://doi.org/10.1039/b211166gopenalex-snapshot
Spectroscopic study of poly(ethylene oxide)6: LiX complexes (X = PF6, AsF6, SbF6, ClO4)
inferredcites →https://doi.org/10.1063/1.1418727openalex-snapshot
The structure of a poly(ethylene oxide) melt from neutron scattering and molecular dynamics simulations
inferredcites →https://doi.org/10.1063/1.1481059openalex-snapshot
Network viscoelastic behavior in poly(ethylene oxide) melts: Effects of temperature and dissolved LiClO4 on network structure and dynamic behavior
inferredcites →https://doi.org/10.1063/1.1815295openalex-snapshot
Structural investigations of polymer electrolyte poly(propylene oxide)-LiClO4 using diffraction experiments and reverse Monte Carlo simulation
inferredcites →https://doi.org/10.1063/1.1839555openalex-snapshot
Mechanisms of lithium transport in amorphous polyethylene oxide
inferredcites →https://doi.org/10.1063/1.1899643openalex-snapshot
Molecular dynamics simulation of the polymer electrolyte poly(ethyleneoxide)∕LiClO4. I. Structural properties
inferredcites →https://doi.org/10.1063/1.2192777openalex-snapshot
Molecular dynamics simulation of polymer electrolytes based on poly(ethylene oxide) and ionic liquids. I. Structural properties
inferredcites →https://doi.org/10.1063/1.445678openalex-snapshot
Orientational order in ionic crystals containing tetrahedral ions
inferredcites →https://doi.org/10.1063/1.448118openalex-snapshot
Molecular dynamics with coupling to an external bath
inferredcites →https://doi.org/10.1063/1.464435openalex-snapshot
Nuclear magnetic relaxation study of poly(ethylene oxide)–lithium salt based electrolytes
inferredcites →https://doi.org/10.1063/1.471033openalex-snapshot
Local structure and mobility of ions in polymer electrolytes: A molecular dynamics simulation study of the amorphous PEOxNaI system
inferredcites →https://doi.org/10.1063/1.477352openalex-snapshot
Atomic structure of solid and liquid polyethylene oxide
inferredcites →https://doi.org/10.1063/1.479609openalex-snapshot
Lithium perchlorate ion pairing in a model of amorphous polyethylene oxide
inferredcites →https://doi.org/10.1063/1.479656openalex-snapshot
Host–guest interactions in fluorinated polymer electrolytes: A 7Li-13C NMR study
inferredcites →https://doi.org/10.1063/1.481767openalex-snapshot
The dynamics in polyethyleneoxide–alkali iodide complexes investigated by neutron spin-echo spectroscopy and molecular dynamics simulations
inferredcites →https://doi.org/10.1088/0953-8984/5/2/003openalex-snapshot
Cation and anion diffusion coefficients in a solid polymer electrolyte measured by pulsed-field-gradient nuclear magnetic resonance
inferredcites →https://doi.org/10.1088/0953-8984/8/38/005openalex-snapshot
Physical properties of polymer electrolytes: nuclear magnetic resonance investigation and comparison with
inferredcites →https://doi.org/10.1093/oso/9780198803195.001.0001openalex-snapshot
Computer Simulation of Liquids
inferredcites →https://doi.org/10.1103/physrevlett.84.5536openalex-snapshot
Structure of Liquid PEO-LiTFSI Electrolyte
inferredcites →https://doi.org/10.1149/1.2108569openalex-snapshot
Phase Diagrams and Conductivity Characterization of Some PEO ‐ LiX Electrolytes
inferredcites →https://doi.org/10.1209/epl/i2001-00249-7openalex-snapshot
Lithium environment in PEO-LiClO 4 polymer electrolyte
inferredcites →https://doi.org/10.1295/polymj.31.602openalex-snapshot
13C CP/MAS and 7Li NMR Study of Lithium Perchlorate/Poly(ethylene oxide)

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Modelagem computacional de líquidos iônicos
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