Molecular dynamics simulation of the crystalline phase of poly(ethylene oxide)-sodium iodide, PEO3NaI.

Keywords

Ethylene oxide, Molecular dynamics, Iodide, Polymer, Ion

References

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• Polymer electrolyte reviews. 1J.R. MacCallum, Colin A. Vincent — 1987
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Cited by

• Molecular dynamics simulations of a poly(ethylene oxide) surfaceAlvo Aabloo, Josh Thomas — 1997
• Molecular dynamics simulation of the LiPF6·PEO6 structureDaniel Brandell, Anti Liivat, Heiki Kasemägi — 2005
• Local structure and mobility of ions in polymer electrolytes: A molecular dynamics simulation study of the amorphous PEOxNaI systemSylvie Neyertz, David Brown — 1996
• Molecular dynamics simulation of the crystalline short-chain polymer system LiPF6·PEO6(Mw∼ 1000)Daniel Brandell, Anti Liivat, Alvo Aabloo — 2005
• Vibrational dynamics of solid poly(ethylene oxide)Marimuthu Krishnan, Sundaram Balasubramanian — 2003
• Atomistic investigation of the nanoparticle size and shape effects on ionic conductivity of solid polymer electrolytesQin Li, Haleh Ardebili — 2014
• Modelling a polyelectrolyte system in water to estimate the ion-conductivityJaana Ennari, Matti Elomaa, Franciska Sundholm — 1999
• Computational modelling of polymer electrolytes: What do 30 years of research efforts provide us today?Patrik Johansson — 2015
• Simulations of structure and transport in polymer electrolytesVilia Ann Payne, Mark C. Lonergan, Maria Forsyth — 1995
• Ab initio quantum chemistry and molecular dynamics simulations studies of LiPF6/poly(ethylene oxide) interactionsOleg Borodin, Grant D. Smith, Richard L. Jaffe — 2001
• Molecular dynamics simulations of ion clustering and conductivity in NaI/ether solutions. I. Effect of ion chargeVilia Ann Payne, Jian-hua Xu, Maria Forsyth — 1995
• Molecular dynamics simulations of ion clustering and conductivity in NaI/ether solutions. II. Effect of ion concentrationVilia Ann Payne, Jian-hua Xu, Maria Forsyth — 1995
• Rational design of electrolyte components by ab initio calculationsPatrik Johansson, Per Jacobsson — 2006
• Modeling of water-free and water containing solid polyelectrolytesJaana Ennari, Matti Elomaa, Igor M. Neelov — 2000
• The local energy approximation and the predictability of chain configurations in polymer meltsSylvie Neyertz, David Brown, Julian H. R. Clarke — 1996
• Phase separation upon heating in model PEOx NaI polymer electrolytesSylvie Neyertz, David Brown — 1998
• Oligomers of Poly(Ethylene Oxide): Molecular Dynamics with a Polarizable Force FieldJiřı́ Kolafa, Mark A. Ratner — 1998
• New Generation of Ordered Polymer Electrolytes for Lithium BatteriesDiana Golodnitsky, Ester Livshits, R. Kovarsky — 2004
• Molecular Origins of Polymer-Coupled Helical Motion of Ions in a Crystalline Polymer ElectrolyteRamesh Cheerla, Marimuthu Krishnan — 2016
• Polymer-Ion Interaction Weakens the Strain-Rate Dependence of Extension-Induced Crystallization for Poly(ethylene oxide).Tingting Hu, Nan Tian, Sarmad A. Ali — 2016

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