Influence of water sorption on ionic conductivity in polyether electrolytes at low hydration
Data files
Jan 14, 2025 version files 109.80 KB
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Figures.zip
96.98 KB
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README.md
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Abstract
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.
README
This README.txt file was generated on 2024-12-16 by Rahul Sujanani
GENERAL INFORMATION
- Title of Dataset: Influence of Water Sorption on Ionic Conductivity in Polyether Electrolytes at Low Hydration
- 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
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
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
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
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
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
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
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
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
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
- Licenses/restrictions placed on the data: N/A
- Links to publications that cite or use the data:
- Links to other publicly accessible locations of the data: N/A
- Links/relationships to ancillary data sets: N/A
- Was data derived from another source? Data from two previous studies were considered to compare against the new data reported in this study:
- In Figure 3 B, the conductivity reported at 0% relative humidity is from Barteau et al. Macromolecules, 2013, 46 (22), 8988-8994
- In Figure 4, the conductivity values reported at water uptake = 0 are from Barteau et al. Macromolecules, 2013, 46 (22), 8988-8994
- 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
- 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
- Description of methods used for collection/generation of data: 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
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