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KimberlyFraser_Dissertation.pdf (413.56 MB)

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DETERMINING STRUCTURE AND GROWTH CHARACTERISTICS OF OXIDE HETEROSTRUCTURES THROUGH DEPOSITION AND DATA SCIENCE: TOWARDS SINGLE CRYSTAL BATTERIES

Fraser, Kimberly
http://orcid.org/0000-0003-1783-1436
http://rave.ohiolink.edu/etdc/view?acc_num=case1671556776764868

Abstract Details

2023, Doctor of Philosophy, Case Western Reserve University, Materials Science and Engineering.
A deeper understanding of processing-structure relationships has been developed with the goal of building single crystal devices using pulsed laser deposition (PLD) and advancing the application of data science to materials science. The targeted device was a half-cell lithium-ion battery, where strontium ruthenate (SRO) is the current collector, lithium cobalt oxide (LCO) is the cathode, and lithium lanthanum titanate (LLTO) is the electrolyte. These were grown on a strontium titanate (STO) substrate. Through studies of the processing parameters and film characteristics, conditions to grow a single crystal LCO/SRO/STO heterostructure were revealed. While the addition of the electrolyte affected the single crystal structure and interfacial quality, underlying reasons have been illuminated to guide further development of multi-layer oxide heterostructures. An in-situ technique called reflection h igh energy electron diffraction (RHEED) is commonly coupled with PLD to provide information on structure-property relationships by recording the diffraction pattern of the film during growth. Traditionally, a small percentage of the data provided is used in analysis. Here data science techniques are applied, both supervised and unsupervised, to reveal additional information from the full data set. As a result, the sensitivity of the length of diffraction spots over other parameters (e.g., width or intensity) to growth characteristics has been uncovered, especially in later stages of growth where the data is dominated by the reflection from the film. Additionally, through unsupervised learning, a phase shift in the intensity oscillations of different RHEED spots was uncovered. Non-negative matrix factorization among other techniques was used to deconvolute information from different diffraction spots. It was revealed that (01) and (0-1) spots are better indicators of thin film growth characteristics especially in material systems that grow in layer-by-layer or step-flow mechanisms. Traditionally, the analysis of RHEED does not discern between the intensity fluctuations of diffraction spots. This research shows that such indifference can lead to inaccuracies in expected film thickness and surface finish, all of which are critical in building multi-layer heterostructure devices. Both the applied data science techniques and the outcomes revealed can provide better control of hetero-interfaces and further insights into structure-property relationships in PLD grown material systems.
Alp Sehirlioglu, Dr. (Advisor)
Xuan Gao, Dr. (Committee Member)
Roger French, Dr. (Committee Member)
Frank Ernst, Dr. (Committee Member)
170 p.
Chemical Engineering; Chemistry; Computer Science; Engineering; Materials Science; Statistics
Pulsed laser deposition; thin film; data science; battery; lithium ion; transmission electron microscopy; RHEED; reflection high energy electron diffraction; supervised learning; unsupervised learning

Recommended Citations

Citations

  • Fraser, K. (2023). DETERMINING STRUCTURE AND GROWTH CHARACTERISTICS OF OXIDE HETEROSTRUCTURES THROUGH DEPOSITION AND DATA SCIENCE: TOWARDS SINGLE CRYSTAL BATTERIES [Doctoral dissertation, Case Western Reserve University]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=case1671556776764868

    APA Style (7th edition)

  • Fraser, Kimberly. DETERMINING STRUCTURE AND GROWTH CHARACTERISTICS OF OXIDE HETEROSTRUCTURES THROUGH DEPOSITION AND DATA SCIENCE: TOWARDS SINGLE CRYSTAL BATTERIES. 2023. Case Western Reserve University, Doctoral dissertation. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=case1671556776764868.

    MLA Style (8th edition)

  • Fraser, Kimberly. "DETERMINING STRUCTURE AND GROWTH CHARACTERISTICS OF OXIDE HETEROSTRUCTURES THROUGH DEPOSITION AND DATA SCIENCE: TOWARDS SINGLE CRYSTAL BATTERIES." Doctoral dissertation, Case Western Reserve University, 2023. http://rave.ohiolink.edu/etdc/view?acc_num=case1671556776764868

    Chicago Manual of Style (17th edition)

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This open access ETD is published by Case Western Reserve University School of Graduate Studies and OhioLINK.