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Emergent Nanostructure and Ion Transport in Polyzwitterion/Polyanion Blends

    Hongwei Li | Texas A&M University
    Qinyu Zhu | Oak Ridge National Laboratory
    Yuya Shinohara | Oak Ridge National Laboratory
    Yangyang Wang | Oak Ridge National Laboratory
    Panagiotis Christakopoulos | Oak Ridge National Laboratory
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Description

We investigated blends of poly(1-(3-sulfonatopropyl)-2-vinylpyridinium) (P2VPPS) and poly(lithium (trifluoromethane)sulfonimide methacrylate) (poly(MTFSI)Li) at varying molar ratios to gain a mechanistic understanding of ionic conductivity in a miscible polyzwitterion/polyanion system. This dataset contains the raw numerical data corresponding to the figures in the manuscript. The data files include the following information: (1) Experimental Data – includes X-ray and neutron scattering measurements, broadband dielectric spectroscopy (BDS) data, extracted DC conductivity values, differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) results, extracted glass transition temperatures, etc. (2) CGMD Data – includes molecular dynamics (MD) trajectory files and computed structural correlations. All data files are organized/named according to the figure numbers in the manuscript.

Funding Information

DOE Contract Number

DE-AC05-00OR22725

Originating Research Organization

Texas A&M University

Other Contributing Organizations

Oak Ridge National Laboratory; The Pennsylvania State University

Sponsoring Organization

Office of Science (SC), Basic Energy Sciences (BES); Texas A&M University Soft Matter Facility (RRID SCR_022482)

Related Works

Details

DOI

https://doi.org/10.13139/ORNLNCCS/2529465

Release Date

August 5, 2025

Subject

36 MATERIALS SCIENCE

Keywords

Polyzwitterion, Polyanion, WAXS, SANS, SAXS, Coarse-grained MD, Glass Transition Temperature, Ionic Conductivity, Complex Formation

Dataset

Dataset Type

ND Numeric Data

Software

Microsoft Excel, Text Editor, Ovito

Cite This Dataset:

Li, H., Zhu, Q., Shinohara, Y., Wang, Y., Christakopoulos, P., Huang, Z., Bonnesen, P., Do, C., Lehmann, M., Saito, T., Colby, R., Kumar, R., Lutkenhaus, J. (2025). Emergent Nanostructure and Ion Transport in Polyzwitterion/Polyanion Blends. Oak Ridge National Laboratory. https://doi.org/10.13139/ORNLNCCS/2529465.

Acknowledgements

This work was carried out [in part] at Oak Ridge National Laboratory, managed by UT-Battelle, LLC for the U.S. Department of Energy under contract DE-AC05-00OR22725.