DOI: 10.5061/dryad.sj3tx96fb
title: Influence of water sorption on ionic conductivity in polyether electrolytes at low hydration

description: This dataset accompanies the ACS Macro Letters article "Influence of
 Water Sorption on Ionic Conductivity in Polyether Electrolytes at Low
 Hydration". The article demonstrates the fundamental influence of
 water sorption on ionic conductivity in LiTFSI doped poly(allyl glycidyl
 ether) (PAGE) based electrolytes at low hydration. This dataset contains
 the experimental data needed to reproduce the figures in the main text and
 supporting information. Details regarding experimental methodology are
 available free of charge in the published supporting information.
description: This README.txt file was generated on 2024-12-16 by Rahul Sujanani GENERAL
 INFORMATION 1. Title of Dataset: Influence of Water Sorption on Ionic
 Conductivity in Polyether Electrolytes at Low Hydration 2. Author
 Information A. Principal Investigator Contact Information Name: Rachel A.
 Segalman Institution: University of California, Santa Barbara Address:
 Department of Chemical Engineering, University of California, Santa
 Barbara, 93106 Email: [segalman@ucsb.edu](mailto:segalman@ucsb.edu) B.
 Associate or Co-investigator Contact Information Name: Rahul Sujanani
 Institution: University of California, Santa Barbara Address: Department
 of Chemical Engineering, University of California, Santa Barbara, 93106
 Email: [rsujanani@ucsb.edu](mailto:rsujanani@ucsb.edu) C. Associate or
 Co-investigator Contact Information Name: Phong H. Nguyen Institution:
 University of California, Santa Barbara Address: Department of Chemical
 Engineering, University of California, Santa Barbara, 93106 Email:
 [php@ucsb.edu](mailto:php@ucsb.edu) D. Associate or Co-investigator
 Contact Information Name: Leo W. Gordon Institution: University of
 California, Santa Barbara Address: Materials Department, University of
 California, Santa Barbara, 93106 Email:
 [lwgordon@ucsb.edu](mailto:lwgordon@ucsb.edu) E. Associate or
 Co-investigator Contact Information Name: James T. Bamford Institution:
 University of California, Santa Barbara Address: Materials Department,
 University of California, Santa Barbara, 93106 Email:
 [jbamford@ucsb.edu](mailto:jbamford@ucsb.edu) F. Associate or
 Co-investigator Contact Information Name: Alexandra Zele Institution:
 University of California, Santa Barbara Address: Materials Department,
 University of California, Santa Barbara, 93106 Email:
 [aazele@ucsb.edu](mailto:aazele@ucsb.edu) G. Associate or Co-investigator
 Contact Information Name: Benjamin H. Pedretti Institution: University of
 Texas at Austin Address: Chemical Engineering Department, University of
 Texas at Austin, 78712 Email:
 [pedretti@utexas.edu](mailto:pedretti@utexas.edu) H. Associate or
 Co-investigator Contact Information Name: Nathaniel A. Lynd Institution:
 University of Texas at Austin Address: Chemical Engineering Department,
 University of Texas at Austin, 78712 Email:
 [lynd@che.utexas.edu](mailto:lynd@che.utexas.edu) I. Associate or
 Co-investigator Contact Information Name: Raphaële J. Clément Institution:
 University of California, Santa Barbara Address: Materials Department,
 University of California, Santa Barbara, 93106 Email:
 [rclement@ucsb.edu](mailto:rclement@ucsb.edu) 3. Date of data collection
 (single date, range, approximate date): 2023-07-01 to 2024-07-01 4.
 Geographic location of data collection: Santa Barbara, CA 5. Information
 about funding sources that supported the collection of the data: This work
 was primarily supported as part of the Center for Materials for Water and
 Energy Systems (M-WET), an Energy Frontier Research Center funded by the
 U.S. Department of Energy, Office of Science, Basic Energy Sciences under
 Award #DE-SC0019272. PFG-NMR measurements made use of shared facilities of
 the National Science Foundation (NSF)-supported Materials Research Science
 and Engineering Center (MRSEC) at UC Santa Barbara, NSF DMR-2308708.
 Fabrication of IDE substrates was performed in the UC Santa Barbara
 Nanofabrication Facility, an open-access laboratory. P.H.N. gratefully
 acknowledges support from the National Science Foundation Graduate
 Research Fellowship Program under Grant No. 2139319. SHARING/ACCESS
 INFORMATION 1. Licenses/restrictions placed on the data: N/A 2. Links to
 publications that cite or use the data: 3. Links to other publicly
 accessible locations of the data: N/A 4. Links/relationships to ancillary
 data sets: N/A 5. Was data derived from another source? Data from two
 previous studies were considered to compare against the new data reported
 in this study: 1. In Figure 3 B, the conductivity reported at 0% relative
 humidity is from Barteau et al. Macromolecules, 2013, 46 (22), 8988-8994
 2. In Figure 4, the conductivity values reported at water uptake = 0 are
 from Barteau et al. Macromolecules, 2013, 46 (22), 8988-8994 3. In Figure
 S6, the Li+ self-diffsion coefficient values are from Johansson et al.
 Journal of Physical Chemistry, 1995, 99 (16), 6163-6166 DATA & FILE
 OVERVIEW 1. File List: Files are orgranized into folders based on figure
 number from the corresponding manuscript and supporting. Files are named
 as "Figure#_SampleID.csv". A. Figure3: Water uptake (a) and
 ionic conductivity (b) in 10 wt% LiTFSI-PAGE as a function of relative
 humidity at 25 C. a. Figure3a_10_wt_pct_LiTFSI-PAGE.csv 1\. Variables:
 relative humidity [%], water uptake [g water/g dry polymer electrolyte]
 2\. Column names: RH, RH_STD DEV, Water Uptake, Water Uptake_STD DEV b.
 Figure3b_10_wt_pct_LiTFSI-PAGE.csv 1\. Variables: relative humidity [%],
 ionic conductivity [S/cm] 2\. Column names: RH, RH_STD DEV, Conductivity,
 Conductivity_STD DEV B. Figure4: Ionic conductivity as a function of water
 uptake for 10 wt% LiTFSI and 20 wt% LiTFSI at 25 C. a.
 Figure4_10_wt_pct_LiTFSI-PAGE.csv 1\. Variables: water uptake [g water/g
 dry polymer electrolyte], ionic conductivity [S/cm] 2\. Column names:
 Water Uptake, Water Uptake_STD DEV, Conductivity, Conductivity STD DEV b.
 Figure4_20_wt_pct_LiTFSI-PAGE.csv 1\. Variables: water uptake [g water/g
 dry polymer electrolyte], ionic conductivity [S/cm] 2\. Column names:
 Water Uptake, Water Uptake_STD DEV, Conductivity, Conductivity STD DEV C.
 Figure5: Normalized molar conductivity plotted against moles of water per
 mol of Li+ for 10 wt% LiTFSI-PAGE, 20 wt% LiTFSI-PAGE, and 17 wt%
 LiTFSI-P(EO-co-AGE) a. Figure5_10_wt_pct_LiTFSI-PAGE.csv 1\. Variables:
 nw/ns [moles water per mol Li+], normalized molar conductivity 2\. Column
 names: nw/ns, nw/ns_STD DEV, Normalized Molar Conductivity, Normalized
 Molar Conductivity_STD DEV b. Figure5_20_wt_pct_LiTFSI-PAGE.csv 1\.
 Variables: nw/ns [moles water per mol Li+], normalized molar conductivity
 2\. Column names: nw/ns, nw/ns_STD DEV, Normalized Molar Conductivity,
 Normalized Molar Conductivity_STD DEV c.
 Figure5_17_wt_pct_LiTFSI-P(EO-co-AGE) 1\. Variables: nw/ns [moles water
 per mol Li+], normalized molar conductivity 2\. Column names: nw/ns,
 nw/ns_STD DEV, Normalized Molar Conductivity, Normalized Molar
 Conductivity_STD DEV D. Figure6: Values of DLi (a) and DTFSI (b) measured
 in bulk samples of 10 and 20 wt% LiTFSI-PAGE prepared dry and equilibrated
 under 80% RH. a. Figure6a.csv 1\. Variables: sample ID, lithium
 self-diffusion coefficient [cm2/s] 2\. Column names: Sample ID, DLi,
 DLi_STD DEV b. Figure6b.csv 1\. Variables: sample ID, TFSI self-diffusion
 coefficient [cm2/s] 2\. Column names: Sample ID, DTFSI, DTFSI_STD DEV E.
 FigureS4: Representative Nyquist plot of a thin-film solid polymer
 electrolyte coated on an interdigitated electrode substrate. a.
 FigureS4.csv 1\. Variables: real impeadance [x 10^4 ohms], imaginary
 impeadnace [x 10^4 ohms] 2\. Column names: Z', Z" F. FigureS5:
 Water uptake in 10 and 20 wt% LiTFSI-PAGE as a function of relative
 humidity at 25 C a. FigureS5_10_wt_pct_LiTFSI-PAGE 1\. Variables: relative
 humidity [%], water uptake [g water/g dry polymer electrolyte] 2\. Column
 names: RH, RH_STD DEV, Water Uptake, Water Uptake_STD DEV b.
 FigureS5_20_wt_pct_LiTFSI-PAGE 1\. Variables: relative humidity [%], water
 uptake [g water/g dry polymer electrolyte] 2\. Column names: RH, RH_STD
 DEV, Water Uptake, Water Uptake_STD DEV G. FigureS6: Li+ self diffusion
 coefficients in PEG polymer electrolytes reported as a function of D2O
 content by Johannson et al. with a comparison to predictions made by the
 Mackie-Meares model a. FigureS6_Johannson_Data 1\. Variables: D2O volume
 fraction, lithium self-diffusion coefficient [cm2/s] 2: Column names: D2O
 volume fraction, DLi b. FigureS6_Mackie_Meares_Prediction 1: Variables:
 D2O volume fraction, lithium self-diffusion coefficient [cm2/s] 2: Column
 names: D2O volume fraction, DLi H. FigureS7a: Ionic conductivity as a
 function of water volume fraction in 10 wt% LiTFSI-PAGE with a comparison
 to predictions made by the Mackie-Meares model a.
 FigureS7a_10_wt_pct_LiTFSI-PAGE_Experimental_Data 1\. Variables: water
 volume fraction, ionic conductivity [S/cm] 2\. Column names: Water volume
 fraction, measured conductivity b.
 FigureS7a_10_wt_pct_LiTFSI-PAGE_Mackie_Meares_Prediction 1\. Variables:
 water volume fraction, ionic conductivity [S/cm] 2\. Column names: Water
 volume fraction, predicted conductivity I. FigureS7b: Ionic conductivity
 as a function of water volume fraction in 20 wt% LiTFSI-PAGE with a
 comparison to predictions made by the Mackie-Meares model a.
 FigureS7b_20_wt_pct_LiTFSI-PAGE_Experimental_Data 1\. Variables: water
 volume fraction, ionic conductivity [S/cm] 2\. Column names: Water volume
 fraction, measured conductivity b.
 FigureS7b_20_wt_pct_LiTFSI-PAGE_Mackie_Meares_Prediction 1\. Variables:
 water volume fraction, ionic conductivity [S/cm] 2\. Column names: Water
 volume fraction, predicted conductivity J. FigureS9: Ionic conductivity as
 a function of water uptake for 17 wt% LiTFSI-P(EO-co-AGE) a.
 FigureS9_17_wt_pct_LiTFSI-P(EO-co-AGE) 1\. Variables: water uptake [g
 water/g dry polymer electrolyte], ionic conductivity [S/cm] 2\. Column
 names: Water uptake, Water uptake_STD DEV, Conductivity, Conductivity_STD
 DEV K. FigureS10: DSC thermograms from the second heating scan for samples
 of 10 wt% LiTFSI-PAGE prepared either dry (a) or satured with 80% relative
 humidity (b) a. FigureS10a_10_wt_pct_LiTFSI-PAGE_Dry 1\. Variables:
 temperature [C], normalized heat flow [W/g] 2\. Column names: temperature,
 heat flow b. FigureS10b_10wt_pct_LiTFSI-PAGE_80_pct_RH 1\. Variables:
 temperature [C], normalized heat flow [W/g] 2\. Column names: temperature,
 heat flow L. FigureS11: DSC thermograms from the second heating scan for
 samples of 20 wt% LiTFSI-PAGE prepared either dry (a) or satured with 80%
 relative humidity (b) a. FigureS11a_20wt_pct_LiTFSI-PAGE_Dry 1\.
 Variables: 2\. Column names: b. FigureS11b_20_wt_pct_LiTFSI-PAGE_80_pct_RH
 1\. Variables: 2\. Column names: 2. Relationship between files, if
 important: N/A 3. Additional related data collected that was not included
 in the current data package: N/A 4. Are there multiple versions of the
 dataset? No METHODOLOGICAL INFORMATION 1. Description of methods used for
 collection/generation of data:
 [https://doi.org/10.1021/acsmacrolett.4c00707](https://doi.org/10.1021/acsmacrolett.4c00707) Please refer to published supporting inforamtion for detailed description of methods used to collect data. Section S1 describes preparation of polymer electrolytes, Section S2 describes the humidity controlled apparatus, Section S3 describes spincoating procedures, Section S4 describes quartz crystal microbalance measurements, Section S5 describes electrochemical impeadance spectroscopy measurements Section S6 describes ellipsometer measurements, Section S13 and S14 describe pulsed field gradient NMR and differential scanning calorimetery measurements, respectively 2. Methods for processing the data: [https://doi.org/10.1021/acsmacrolett.4c00707](https://doi.org/10.1021/acsmacrolett.4c00707) Please refer to published supporting information for detailed description of methods used to process the data. Section S4 describes quartz crystal microbalance analysis, Section S5 describes electrochemical impeadance spectroscopy analysis, Section S6 describes ellipsometer analysis, Section S7 describes how the datasets from the concurrent electrochemical impeadance spectroscopy, quartz crystal microbalance, and relative humidity datasets were compiled and analyzed. Section S13 and S14 describe analysis of pulsed field gradient NMR and differential scanning calorimetery data, respectively 3. Instrument- or software-specific information needed to interpret the data: N/A 4. Standards and calibration information, if appropriate: N/A 5. Environmental/experimental conditions: All data was taken at 25 C under the relative humidities described in the manuscript 6. Describe any quality-assurance procedures performed on the data: N/A 7. People involved with sample collection, processing, analysis and/or submission: Rahul Sujanani, Phong H. Nguyen, Leo W. Gordon, James T. Bamford, Alexandra Zele, Benjamin J. Pedretti, Nathaniel A. Lynd, Raphaële J. Clément, Rachel A. Segalman