Developing Solid Composite Polymer Electrolytes and Unveiling Layered Oxide Cathodes through Machine Learning for Sodium-Ion Batteries

Simple item page
dc.contributor.advisorThangadurai, Venkataraman
dc.contributor.authorSalari, Hirbod
dc.contributor.committeememberSalahub, Dennis R.
dc.contributor.committeememberDolgos, Michelle
dc.contributor.committeememberSabharwal, Mayank
dc.date2024-11
dc.date.accessioned2024-05-28T17:16:14Z
dc.date.available2024-05-28T17:16:14Z
dc.date.issued2024-05-21
dc.description.abstractSolid-state sodium-ion batteries (ss-SIBs) are becoming a viable substitute for traditional lithium-ion batteries, offering a sustainable and cost-efficient option for future energy storage needs. The primary advantage is the abundant availability and lower cost of sodium compared to lithium. The advancement of ss-SIBs depends on achieving superior electrochemical, mechanical, interfacial, and thermal stability in solid electrolytes and optimal cathode selection. Solid polymer electrolytes (SPEs) are particularly promising due to their flexibility and potential for enhancement, despite challenges such as low ionic conductivity and high interfacial resistance. This thesis introduces a solid composite polymer electrolyte (SCPE) aimed at enhancing sodium-ion conductivity in ss-SIBs. The SCPE film was produced via a simple solution casting method, incorporating poly(vinylidene fluoride) (PVDF), poly(vinyl pyrrolidone) (PVP), succinonitrile as binders, NaPF6 salt, and NZSP NASICON as a ceramic electrolyte additive. Characterization techniques, including electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM), and X-ray diffraction (XRD), were used to analyze the microstructure and electrochemical properties of the SCPEs. The resulting SCPEs exhibited a total conductivity of 6.8 × 10-4 S/cm at 23°C and 2.5 × 10-3 S/cm at 71°C. SEM analysis revealed uniform dispersion of the ceramic electrolyte within the SPE matrix, attributed to the polar nature of the host polymer, which reduces crystallinity and enhances sodium-ion conductivity. A symmetric half-cell assembly with a sodium electrode demonstrated excellent performance in sodium plating and stripping at a current density of 7 mA cm-2 at 23°C. Further, the thesis explores a machine-driven approach to predict critical factors affecting ss-SIB cathode performance using a dataset of about 350 data points of transition metal layered oxide cathode materials. Machine learning techniques were employed to develop three interconnected models aimed at predicting the P2/O3 ratio, initial discharge capacity, and discharge capacity after 50 cycles. The model for predicting the P2/O3 ratio achieved an R2 value of 83%, indicating high accuracy. The subsequent models, using Gaussian Process (GP) and Multilayer Perceptron Regressor (MLPR), achieved around 80% accuracy in predicting initial discharge capacity and 85% accuracy in discharge capacity after 50 cycles.
dc.identifier.citationSalari, H. (2024). Developing solid composite polymer electrolytes and unveiling layered oxide cathodes through machine learning for sodium-ion batteries (Master's thesis, University of Calgary, Calgary, Canada). Retrieved from https://prism.ucalgary.ca.
dc.identifier.urihttps://hdl.handle.net/1880/118849
dc.language.isoen
dc.publisher.facultyGraduate Studies
dc.publisher.institutionUniversity of Calgary
dc.rightsUniversity of Calgary graduate students retain copyright ownership and moral rights for their thesis. You may use this material in any way that is permitted by the Copyright Act or through licensing that has been assigned to the document. For uses that are not allowable under copyright legislation or licensing, you are required to seek permission.
dc.subjectSolid-state batteries
dc.subjectMachine-driven studies
dc.subjectSolid composite electrolyte
dc.subject.classificationEducation--Sciences
dc.subject.classificationEngineering--Environmental
dc.titleDeveloping Solid Composite Polymer Electrolytes and Unveiling Layered Oxide Cathodes through Machine Learning for Sodium-Ion Batteries
dc.typemaster thesis
thesis.degree.disciplineChemistry
thesis.degree.grantorUniversity of Calgary
thesis.degree.nameMaster of Science (MSc)
ucalgary.thesis.accesssetbystudentI do not require a thesis withhold – my thesis will have open access and can be viewed and downloaded publicly as soon as possible.
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
ucalgary_2024_salari_hirbod.pdf
Size:
11.09 MB
Format:
Adobe Portable Document Format
Description:
I am planning to publish the machine-driven work as a short communication in the next two months.
Download
License bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
2.64 KB
Format:
Item-specific license agreed upon to submission
Description:
Download
Collections
Restricted Theses and Dissertations