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Title: Simulation of local ion transport in lamellar block copolymer electrolytes based on electron micrographs

Abstract

A method is presented in this paper to relate local morphology and ionic conductivity in a solid, lamellar block copolymer electrolyte for lithium batteries, by simulating conductivity through transmission electron micrographs. The electrolyte consists of polystyrene-block-poly(ethylene oxide) mixed with lithium bis(trifluoromethanesulfonyl) imide salt (SEO/LiTFSI), where the polystyrene phase is structural phase and the poly(ethylene oxide)/LiTFSI phase is ionically conductive. The electric potential distribution is simulated in binarized micrographs by solving the Laplace equation with constant potential boundary conditions. A morphology factor, f, is reported for each image by calculating the effective conductivity relative to a homogenous conductor. Images from two samples are examined, one annealed with large lamellar grains and one unannealed with small grains. The average value off is 0.45 ± 0.04 for the annealed sample, and 0.37 ± 0.03 for the unannealed sample, both close to the value predicted by effective medium theory, 1/2. Simulated conductivities are compared to published experimental conductivities. The value of fUnannealed/fAnnealed is 0.82 for simulations and 6.2 for experiments. Simulation results correspond well to predictions by effective medium theory but do not explain the experimental measurements. Finally, observation of nanoscale morphology over length scales greater than the size of the micrographs (~1 μm)more » may be required to explain the experimental results.« less

Authors:
 [1];  [2];  [2];  [2];  [3]
  1. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1408414
Alternate Identifier(s):
OSTI ID: 1464338
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Polymer Science. Part B, Polymer Physics
Additional Journal Information:
Journal Volume: 55; Journal Issue: 3; Journal ID: ISSN 0887-6266
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; block copolymers; electron microscopy; simulations

Citation Formats

Chintapalli, Mahati, Higa, Kenneth, Chen, X. Chelsea, Srinivasan, Venkat, and Balsara, Nitash P. Simulation of local ion transport in lamellar block copolymer electrolytes based on electron micrographs. United States: N. p., 2016. Web. doi:10.1002/polb.24268.
Chintapalli, Mahati, Higa, Kenneth, Chen, X. Chelsea, Srinivasan, Venkat, & Balsara, Nitash P. Simulation of local ion transport in lamellar block copolymer electrolytes based on electron micrographs. United States. doi:10.1002/polb.24268.
Chintapalli, Mahati, Higa, Kenneth, Chen, X. Chelsea, Srinivasan, Venkat, and Balsara, Nitash P. Mon . "Simulation of local ion transport in lamellar block copolymer electrolytes based on electron micrographs". United States. doi:10.1002/polb.24268. https://www.osti.gov/servlets/purl/1408414.
@article{osti_1408414,
title = {Simulation of local ion transport in lamellar block copolymer electrolytes based on electron micrographs},
author = {Chintapalli, Mahati and Higa, Kenneth and Chen, X. Chelsea and Srinivasan, Venkat and Balsara, Nitash P.},
abstractNote = {A method is presented in this paper to relate local morphology and ionic conductivity in a solid, lamellar block copolymer electrolyte for lithium batteries, by simulating conductivity through transmission electron micrographs. The electrolyte consists of polystyrene-block-poly(ethylene oxide) mixed with lithium bis(trifluoromethanesulfonyl) imide salt (SEO/LiTFSI), where the polystyrene phase is structural phase and the poly(ethylene oxide)/LiTFSI phase is ionically conductive. The electric potential distribution is simulated in binarized micrographs by solving the Laplace equation with constant potential boundary conditions. A morphology factor, f, is reported for each image by calculating the effective conductivity relative to a homogenous conductor. Images from two samples are examined, one annealed with large lamellar grains and one unannealed with small grains. The average value off is 0.45 ± 0.04 for the annealed sample, and 0.37 ± 0.03 for the unannealed sample, both close to the value predicted by effective medium theory, 1/2. Simulated conductivities are compared to published experimental conductivities. The value of fUnannealed/fAnnealed is 0.82 for simulations and 6.2 for experiments. Simulation results correspond well to predictions by effective medium theory but do not explain the experimental measurements. Finally, observation of nanoscale morphology over length scales greater than the size of the micrographs (~1 μm) may be required to explain the experimental results.},
doi = {10.1002/polb.24268},
journal = {Journal of Polymer Science. Part B, Polymer Physics},
number = 3,
volume = 55,
place = {United States},
year = {2016},
month = {12}
}

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    Works referencing / citing this record:

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