Effect of Chemical Variations in the Structure of Poly(ethylene oxide)-Based Polymers on Lithium Transport in Concentrated Electrolytes
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Jeffrey C. Grossman | Yang Shao-Horn | Tian Xie | Arthur France-Lanord | Jeremiah A. Johnson | J. Grossman | Y. Shao-horn | Yanming Wang | A. France-Lanord | Yanming Wang | T. Xie
[1] B. Scrosati,et al. Polyethylene glycol dimethyl ether (PEGDME)-based electrolyte for lithium metal battery , 2015 .
[2] Heng Zhang,et al. Single Lithium-Ion Conducting Polymer Electrolytes Based on a Super-Delocalized Polyanion. , 2016, Angewandte Chemie.
[3] S. Greenbaum,et al. Characteristics of glyme electrolytes for sodium battery: nuclear magnetic resonance and electrochemical study , 2017 .
[4] W. Meyer,et al. Polymer electrolytes for lithium-ion batteries. , 1998, Advanced materials.
[5] Christopher L. Soles,et al. Correlations between Ion Conductivity and Polymer Dynamics in Hyperbranched Poly(ethylene oxide) Electrolytes for Lithium-Ion Batteries , 2011 .
[6] Jeremiah A. Johnson,et al. Supramolecular Regulation of Anions Enhances Conductivity and Transference Number of Lithium in Liquid Electrolytes. , 2018, Journal of the American Chemical Society.
[7] Jonathan P. Mailoa,et al. General Trend of a Negative Li Effective Charge in Ionic Liquid Electrolytes. , 2019, The journal of physical chemistry letters.
[8] C. Hardacre,et al. Application of static charge transfer within an ionic-liquid force field and its effect on structure and dynamics. , 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.
[9] E. Akiba,et al. 1H, 7Li, and 19F nuclear magnetic resonance and ionic conductivity studies for liquid electrolytes composed of glymes and polyetheneglycol dimethyl ethers of CH3O(CH2CH2O)nCH3 (n=3–50) doped with LiN(SO2CF3)2 , 2002 .
[10] M. Shiga,et al. Rapid estimation of elastic constants by molecular dynamics simulation under constant stress , 2004 .
[11] Aris Marcolongo,et al. Ionic correlations and failure of Nernst-Einstein relation in solid-state electrolytes , 2017 .
[12] Venkat Srinivasan,et al. Negative Stefan-Maxwell Diffusion Coefficients and Complete Electrochemical Transport Characterization of Homopolymer and Block Copolymer Electrolytes , 2018 .
[13] A. Stephan,et al. Review on gel polymer electrolytes for lithium batteries , 2006 .
[14] J. Dygas,et al. IONIC CONDUCTIVITY AND LITHIUM TRANSFERENCE NUMBER OF POLY(ETHYLENE OXIDE):LiTFSI SYSTEM , 2017 .
[15] B. Scrosati,et al. Insight on the Li2S electrochemical process in a composite configuration electrode. , 2016, New journal of chemistry = Nouveau journal de chimie.
[16] Huai Sun,et al. Computer simulations of poly(ethylene oxide): force field, pvt diagram and cyclization behaviour , 1997 .
[17] Jeffrey C. Grossman,et al. Graph dynamical networks for unsupervised learning of atomic scale dynamics in materials , 2019, Nature Communications.
[18] Peter Lamp,et al. Inorganic Solid-State Electrolytes for Lithium Batteries: Mechanisms and Properties Governing Ion Conduction. , 2015, Chemical reviews.
[19] Jonathan P. Mailoa,et al. Transport anomalies emerging from strong correlation in ionic liquid electrolytes , 2019, Journal of Power Sources.
[20] M. Schönhoff,et al. Negative effective Li transference numbers in Li salt/ionic liquid mixtures: does Li drift in the "Wrong" direction? , 2018, Physical chemistry chemical physics : PCCP.
[21] Maria Forsyth,et al. Ionic conductivity studies of polymeric electrolytes containing lithium salt with plasticizer , 2004 .
[22] Boris Kozinsky,et al. Effect of Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: A Molecular Dynamics Study of PEO–LiTFSI , 2018, Chemistry of Materials.
[23] H. Sun,et al. Force field for computation of conformational energies, structures, and vibrational frequencies of aromatic polyesters , 1994, J. Comput. Chem..
[24] O. Borodin,et al. Structure and energetics of Li(+)-(BF4(-))n, Li(+)-(FSI(-))n, and Li(+)-(TFSI(-))n: ab initio and polarizable force field approaches. , 2014, The journal of physical chemistry. B.
[25] John Newman,et al. Negative transference numbers in poly(ethylene oxide)-based electrolytes , 2017 .
[26] Oleg Borodin,et al. Structure and dynamics of N-methyl-N-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide ionic liquid from molecular dynamics simulations. , 2006, The journal of physical chemistry. B.
[27] Kang Xu,et al. Electrolytes and interphases in Li-ion batteries and beyond. , 2014, Chemical reviews.
[28] Michael A Webb,et al. Enhancing Cation Diffusion and Suppressing Anion Diffusion via Lewis-Acidic Polymer Electrolytes. , 2016, The journal of physical chemistry letters.
[29] O. Borodin,et al. Development of a Polarizable Force Field for Molecular Dynamics Simulations of Poly (Ethylene Oxide) in Aqueous Solution. , 2011, Journal of chemical theory and computation.
[30] Li‐Zhen Fan,et al. Composite effects in poly(ethylene oxide)–succinonitrile based all-solid electrolytes , 2006 .
[31] M. Frisch,et al. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields , 1994 .
[32] H. Sun,et al. COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds , 1998 .
[33] M. Schönhoff,et al. Lithium Transference Numbers in PEO/LiTFSA Electrolytes Determined by Electrophoretic NMR , 2019, Journal of The Electrochemical Society.
[34] O. Borodin,et al. Force Field Development and MD Simulations of Poly(ethylene oxide)/LiBF4 Polymer Electrolytes , 2003 .
[35] David G. Mackanic,et al. Designing polymers for advanced battery chemistries , 2019, Nature Reviews Materials.
[36] R. C. Agrawal,et al. Solid polymer electrolytes: materials designing and all-solid-state battery applications: an overview , 2008 .
[37] Kang Xu,et al. Nonaqueous liquid electrolytes for lithium-based rechargeable batteries. , 2004, Chemical reviews.
[38] Kee Suk Nahm,et al. Poly(vinylidene fluoride-hexafluoropropylene) (PVdF-HFP) based composite electrolytes for lithium batteries , 2006 .
[39] T. H. Dunning. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen , 1989 .
[40] Steve Plimpton,et al. Fast parallel algorithms for short-range molecular dynamics , 1993 .
[41] C. Wan,et al. Review of gel-type polymer electrolytes for lithium-ion batteries , 1999 .
[42] Thomas F. Miller,et al. Universal Relationship between Conductivity and Solvation-Site Connectivity in Ether-Based Polymer Electrolytes , 2016 .
[43] M. Armand,et al. Physical properties of solid polymer electrolyte PEO(LiTFSI) complexes , 1995 .
[44] T. Kyu,et al. Ionic Conductivity in Relation to Ternary Phase Diagram of Poly(ethylene oxide), Succinonitrile, and Lithium Bis(trifluoromethane)sulfonimide Blends , 2012 .
[45] Marc Doyle,et al. The importance of the lithium ion transference number in lithium/polymer cells , 1994 .
[46] M. Doeff,et al. Transport Properties of a High Molecular Weight Poly(propylene oxide)‐ LiCF3 SO 3 System , 1999 .
[47] Wei Liu,et al. Ionic conductivity enhancement of polymer electrolytes with ceramic nanowire fillers. , 2015, Nano letters.
[48] Oleg Borodin,et al. Development of many-body polarizable force fields for Li-battery components: 1. Ether, alkane, and carbonate-based solvents. , 2006, The journal of physical chemistry. B.
[49] Jeffrey C Grossman,et al. Correlations from Ion Pairing and the Nernst-Einstein Equation. , 2018, Physical review letters.
[50] N. Balsara,et al. Difference between approximate and rigorously measured transference numbers in fluorinated electrolytes. , 2019, Physical chemistry chemical physics : PCCP.
[51] R. Lynden-Bell,et al. Simulations of imidazolium ionic liquids: when does the cation charge distribution matter? , 2009, Journal of physics. Condensed matter : an Institute of Physics journal.
[52] E. Izgorodina,et al. Assessment of atomic partial charge schemes for polarisation and charge transfer effects in ionic liquids. , 2013, Physical chemistry chemical physics : PCCP.
[53] Peter V. Wright,et al. Electrical conductivity in ionic complexes of poly(ethylene oxide) , 1975 .
[54] Barbara Kirchner,et al. TRAVIS - a free analyzer and visualizer for Monte Carlo and molecular dynamics trajectories , 2011, Journal of Cheminformatics.
[55] Dan He,et al. Poly(ethylene oxide)-based electrolytes for lithium-ion batteries , 2015 .