Dependence of ion dynamics on the polymer chain length in poly(ethylene oxide)-based polymer electrolytes

Journal of Physical Chemistry B

Volumn 119, Issue 22, 2015, Pages 6786-6791

  Chattoraj, Joyjit ^a   Knappe, Marisa ^a   Heuer, Andreas ^a  

^a UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHAIN LENGTH; CHAINS; COPOLYMERS; DIFFUSION; ELECTROLYTES; ETHYLENE; IONIC CONDUCTIVITY; IONS; LITHIUM; MOLECULAR DYNAMICS; NEGATIVE IONS; POLYETHYLENE OXIDES; POLYMERS; POSITIVE IONS;

BIS(TRIFLUOROMETHANE SULFONYL)IMIDE; CENTER OF MASS MOTION; CHAIN-LENGTH DEPENDENCE; MOLECULAR DYNAMICS SIMULATIONS; POLYMER CHAIN LENGTH; POLYMER ELECTROLYTE; SHORT CHAIN LENGTHS; TEMPERATURE DEPENDENT;

POLYELECTROLYTES;

EID: 84930640814     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp512734g     Document Type: Article

References (21)

1. Gray, F. M., Ed. Solid polymer electrolytes: fundamentals and technological applications; Wiley-VCH: United Kingdom, 1991.
2. Stephan, A. M.; Nahm, K. S. Review on composite polymer electrolytes for lithium batteries Polymer 2006, 47, 5952-5964
3. Teran, A. A.; Tang, M. H.; Mullin, S. A.; Balsara, N. P. Effect of molecular weight on conductivity of polymer electrolytes Solid State Ionics 2011, 203, 18-21
4. Shi, J.; Vincent, C. A. The effect of molecular weight on cation mobility in polymer electrolytes Solid State Ionics 1993, 60, 11-17
5. Müller-Plathe, F.; Gunsteren, W. v. Computer simulation of a polymer electrolyte: Lithium iodide in poly(ethylene oxide) J. Chem. Phys. 1995, 103, 4745
6. Borodin, O.; Smith, G. Mechanisms of ion transport in amorphous poly(ethylene oxide)/LiTFSI from molecular dynamics simulations Macromolecules 2006, 39, 1620-1629
7. Maitra, A.; Heuer, A. Cation Transport in Polymer Electrolytes: A Microscopic Approach Phys. Rev. Lett. 2007, 98, 227802
8. Diddens, D.; Heuer, A.; Borodin, O. Understanding the Lithium Transport within a Rouse-Based Model for a PEO/LiTFSI Polymer Electrolyte Macromolecules 2010, 43, 2028-2036
9. Neyertz, S.; Brown, D. Local structure and mobility of ions in polymer electrolytes: A molecular dynamics simulation study of the amorphous PEOxNaI system J. Chem. Phys. 1996, 104, 3797-3809
10. Duan, Y.; Halley, J. W.; Curtiss, L.; Redfern, P. Mechanisms of lithium transport in amorphous polyethylene oxide J. Chem. Phys. 2005, 122, 054702
11. Siqueira, L. J. A.; Ribeiro, M. C. C. Molecular dynamics simulation of the polymer electrolyte poly(ethylene oxide)/LiClO4. II. Dynamical properties J. Chem. Phys. 2006, 125, 214903
12. Hayamizu, K.; Akiba, E.; Bando, T.; Aihara, Y. 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 J. Chem. Phys. 2002, 117, 5929-5939
13. Hayamizu, K.; Sugimoto, K.; Akiba, E.; Aihara, Y.; Bando, T.; Price, W. S. An NMR and Ionic Conductivity Study of Ion Dynamics in Liquid Poly(ethylene oxide)-Based Electrolytes Doped with LiN(SO2CF3)2 J. Phys. Chem. B 2002, 106, 547-554
14. Borodin, O.; Smith, G. Development of many-body polarizable force fields for Li-battery components: 1. Ether, Alkane, and Carbonate-based solvents J. Phys. Chem. B 2006, 110, 6279-6292
15. Chattoraj, J.; Diddens, D.; Heuer, A. Effects of ionic liquids on cation dynamics in amorphous polyethylene oxide electrolytes J. Chem. Phys. 2014, 140, 024906
16. the Theory of Polymer Dynamics; Doi, M.; Edwards, S., Eds.; Oxford University Press: Oxford, 2003.
17. Appel, M.; Fleischer, G. Investigation of the chain length dependence of self-diffusion of poly(dimethylsiloxane) and poly(ethylene oxide) in the melt with pulsed field gradient NMR Macromolecules 1993, 26, 5520-5525
18. Fögeling, J.; Kunze, M.; Schonhoff, M.; Stolwijk, N. A. Foreign-ion and self-ion diffusion in a crosslinked salt-in-polyether electrolyte Phys. Chem. Chem. Phys. 2010, 12, 7148-7161
19. Joost, M.; Kunze, M.; Jeong, S.; Schönhoff, M.; Winter, M.; Passerini, S. Ionic mobility in ternary polymer electrolytes for lithium-ion batteries Electrochim. Acta 2012, 30, 330-338
20. Hayamizu, K.; Aihara, Y.; Nakagawa, H.; Nukuda, T.; Price, W. S. Ionic Conduction and Ion Diffusion in Binary Room-Temperature Ionic Liquids Composed of [emim][BF4] and LiBF4 J. Phys. Chem. B 2004, 108, 19527-19532
21. Stolwijk, N. A.; Wiencierz, M.; Heddier, C.; Kösters, J. What Can We Learn from Ionic Conductivity Measurements in Polymer Electrolytes? A Case Study on Poly(ethylene oxide) (PEO)-NaI and PEO-LiTFSI J. Phys. Chem. B 2012, 116, 3065-3074