Emergent Nanostructure and Ion Transport in Polyzwitterion/Polyanion Blends

Dataset · Tue Aug 05 00:00:00 EDT 2025

DOI:https://doi.org/10.13139/ORNLNCCS/2529465· OSTI ID:2529465

Li, Hongwei ^[1]; Zhu, Qinyu ^[2]; Shinohara, Yuya ^[2]; Wang, Yangyang ^[2]; Christakopoulos, Panagiotis ^[2]; Huang, Zitan ^[3]; Bonnesen, Peter V. ^[2]; Do, Changwoo ^[2]; Lehmann, Michelle ^[2]; Saito, Tomonori ^[2]; Colby, Ralph H. ^[3]; Kumar, Rajeev ^[2]; Lutkenhaus, Jodie L. ^[1]

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1. Texas A&M University
2. Oak Ridge National Laboratory
3. The Pennsylvania State University

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.

• Research Organization: Texas A&M University
• Sponsoring Organization: Office of Science (SC), Basic Energy Sciences (BES); Texas A&M University Soft Matter Facility (RRID SCR_022482)
• Contributing Organization: Oak Ridge National Laboratory; The Pennsylvania State University
• DOE Contract Number: AC05-00OR22725
• OSTI ID: 2529465
• Country of Publication: United States
• Language: English

Related Subjects

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