کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
189931 459689 2011 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Branched polyethylene/poly(ethylene oxide) as a host matrix for Li-ion battery electrolytes: A molecular dynamics study
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
Branched polyethylene/poly(ethylene oxide) as a host matrix for Li-ion battery electrolytes: A molecular dynamics study
چکیده انگلیسی

This article discusses the structural and dynamic properties of a model polymer electrolyte system suitable for Li-ion batteries, investigated by Molecular Dynamics simulations at 293 K. It consists of a non-polar polyethylene backbone, onto which polar oligomeric polyethylene oxide side-chains of length 4–15 EO units are attached. LiPF6 salt is dissolved into the matrix to a concentration corresponding to a Li:EO ratio of 1:12. It is found that the system display significantly higher mobility values that linear PEO using the same concentration, which is attributed to the high side-chain dynamics and the polar/non-polar topology of the system. An optimum side-chain length of 10 EO units is found for many properties, such as the dissolution of salt, although the Li+ ion diffusion was found to be the highest for side-chain lengths of 15 EO units: 1.54 × 10−13 m2 s−1.


► We use Molecular Dynamics to model a Li-battery polymer electrolyte with different polarities.
► The polymeric system has a tendency to phase-separate at the nano-scale level.
► The ionic conductivity is significantly higher in the bipolar system than in linear poly(ethylene oxide).

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Electrochimica Acta - Volume 57, 15 December 2011, Pages 228–236
نویسندگان
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