Recent Advances in Innovative Polymer Electrolytes based on Poly(ionic liquid)s
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September 2015 |
Lithium battery chemistries enabled by solid-state electrolytes
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February 2017 |
Issues and challenges facing rechargeable lithium batteries
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November 2001 |
Polymerized Ionic Liquids via Hydroboration Polymerization as Single Ion Conductive Polymer Electrolytes
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October 2006 |
Promising Routes to a High Li + Transference Number Electrolyte for Lithium Ion Batteries
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October 2017 |
Polymerized ionic liquid diblock copolymer as solid-state electrolyte and separator in lithium-ion battery
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September 2016 |
Structure and Nanostructure in Ionic Liquids
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June 2015 |
Fundamental Limitations of Ionic Conductivity in Polymerized Ionic Liquids
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October 2018 |
Perspectives for Polymer Electrolytes: A View from Fundamentals of Ionic Conductivity
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April 2020 |
Decoupling Mechanical and Conductive Dynamics of Polymeric Ionic Liquids via a Trivalent Anion Additive
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November 2017 |
Polymerized Ionic Liquids: Correlation of Ionic Conductivity with Nanoscale Morphology and Counterion Volume
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August 2017 |
Unveiling the Ion Conduction Mechanism in Imidazolium-Based Poly(ionic liquids): A Comprehensive Investigation of the Structure-to-Transport Interplay
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May 2017 |
Ion Conduction in Polymerized Ionic Liquids with Different Pendant Groups
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June 2015 |
Non-solvating, side-chain polymer electrolytes as lithium single-ion conductors: synthesis and ion transport characterization
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January 2020 |
Ionomers from Step-Growth Polymerization: Highly Ordered Ionic Aggregates and Ion Conduction
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February 2020 |
Ion conduction and phase morphology in sulfonate copolymer ionomers based on ionic liquid–sodium cation mixtures
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January 2014 |
Room Temperature Morphologies of Precise Acid- and Ion-Containing Polyethylenes
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November 2013 |
Gyroid and Other Ordered Morphologies in Single-Ion Conducting Polymers and Their Impact on Ion Conductivity
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December 2019 |
Nanoscale Morphology in Precisely Sequenced Poly(ethylene- co -acrylic acid) Zinc Ionomers
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June 2010 |
Periodic Polyethylene Sulfonates from Polyesterification: Bulk and Nanoparticle Morphologies and Ionic Conductivities
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October 2019 |
The evolution of acidic and ionic aggregates in ionomers during microsecond simulations
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February 2019 |
Direct Comparisons of X-ray Scattering and Atomistic Molecular Dynamics Simulations for Precise Acid Copolymers and Ionomers
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January 2015 |
Influence of Cation Type on Ionic Aggregates in Precise Ionomers
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June 2013 |
Atomistic Simulations Predict a Surprising Variety of Morphologies in Precise Ionomers
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February 2013 |
Polymer architecture effect on sodium ion transport in PSTFSI-based ionomers: A molecular dynamics study
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May 2016 |
Design Rules for Highly Conductive Polymeric Ionic Liquids from Molecular Dynamics Simulations
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August 2018 |
Fundamental parameters governing ion conductivity in polymer electrolytes
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March 2019 |
Chain and Ion Dynamics in Precise Polyethylene Ionomers
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October 2019 |
Structure and Dynamics of Coarse-Grained Ionomer Melts in an External Electric Field
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January 2015 |
Dynamics of Model Ionomer Melts of Various Architectures
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September 2012 |
Quantifying Single-Ion Transport in Percolated Ionic Aggregates of Polymer Melts
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April 2020 |
Ionic-liquid materials for the electrochemical challenges of the future
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July 2009 |
Ion-Specific Effects in Carboxylate Binding Sites
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November 2016 |
Synthesis and Morphology of Well-Defined Poly(ethylene- co -acrylic acid) Copolymers
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September 2007 |
Self-assembled highly ordered acid layers in precisely sulfonated polyethylene produce efficient proton transport
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May 2018 |
Precision Polyelectrolytes with Phenylsulfonic Acid Branches at Every Five Carbons
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May 2018 |
Viscoelastic, Mechanical, and Glasstomeric Properties of Precision Polyolefins Containing a Phenyl Branch at Every Five Carbons
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March 2018 |
A Precision Ethylene-Styrene Copolymer with High Styrene Content from Ring-Opening Metathesis Polymerization of 4-Phenylcyclopentene
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April 2016 |
Study of lithium conducting single ion conductor based on polystyrene sulfonate for lithium battery application
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September 2016 |
Molecular Force Field for Ionic Liquids IV: Trialkylimidazolium and Alkoxycarbonyl-Imidazolium Cations; Alkylsulfonate and Alkylsulfate Anions
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April 2008 |
Halide, Ammonium, and Alkali Metal Ion Parameters for Modeling Aqueous Solutions
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August 2006 |
Optimization of the OPLS-AA Force Field for Long Hydrocarbons
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March 2012 |
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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January 1996 |
Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations
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November 2017 |
Structure and mechanisms underlying ion transport in ternary polymer electrolytes containing ionic liquids
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February 2017 |
Scaling Atomic Partial Charges of Carbonate Solvents for Lithium Ion Solvation and Diffusion
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November 2016 |
General Trend of a Negative Li Effective Charge in Ionic Liquid Electrolytes
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April 2019 |
Quantifying the Strength of a Salt Bridge by Neutron Scattering and Molecular Dynamics
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May 2019 |
Hydration and Ion Pairing in Aqueous Mg 2+ and Zn 2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations
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October 2017 |
Accurate Binding of Sodium and Calcium to a POPC Bilayer by Effective Inclusion of Electronic Polarization
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April 2018 |
Continuum level treatment of electronic polarization in the framework of molecular simulations of solvation effects
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October 2003 |
Electronic Continuum Model for Molecular Dynamics Simulations of Biological Molecules
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April 2010 |
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
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September 2015 |
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
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February 2013 |
A smooth particle mesh Ewald method
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November 1995 |
Quiet high-resolution computer models of a plasma
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February 1974 |
Canonical sampling through velocity rescaling
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January 2007 |
Molecular dynamics with coupling to an external bath
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October 1984 |
Nanoscale Structure and Morphology of Sulfonated Polyphenylenes via Atomistic Simulations
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January 2017 |
Polymatic: a generalized simulated polymerization algorithm for amorphous polymers
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January 2013 |
Detailed Atomistic Simulation of the Segmental Dynamics and Barrier Properties of Amorphous Poly(ethylene terephthalate) and Poly(ethylene isophthalate)
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April 2004 |
Molecular Simulations of PIM-1-like Polymers of Intrinsic Microporosity
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September 2011 |
Multi-Length Scale Morphology of Poly(ethylene oxide)-Based Sulfonate Ionomers with Alkali Cations at Room Temperature
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May 2010 |
Consistent van der Waals Radii for the Whole Main Group
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May 2009 |
VMD: Visual molecular dynamics
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February 1996 |
A new multiplet-cluster model for the morphology of random ionomers
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September 1990 |
Clustering effects in ionic polymers: Molecular dynamics simulations
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August 2015 |
Cluster Morphology-Polymer Dynamics Correlations in Sulfonated Polystyrene Melts: Computational Study
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April 2016 |
Gyration tensor based analysis of the shapes of polymer chains in an attractive spherical cage
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February 2013 |
Fast Calculation of van der Waals Volume as a Sum of Atomic and Bond Contributions and Its Application to Drug Compounds
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September 2003 |
Monodisperse and Telechelic Polyethylenes Form Extended Chain Crystals with Ionic Layers
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June 2019 |
Highly decoupled ionic and protonic solid electrolyte systems, in relation to other relaxing systems and their energy landscapes
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November 2006 |
Single-ion polymer electrolytes based on a delocalized polyanion for lithium batteries
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December 2011 |
Single Lithium-Ion Conducting Polymer Electrolytes Based on a Super-Delocalized Polyanion
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January 2016 |
Structure and Energetics of Li + –(BF 4 – ) n , Li + –(FSI – ) n , and Li + –(TFSI – ) n : Ab Initio and Polarizable Force Field Approaches
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August 2014 |