MSE PhD Prospectus Defense of Harley Quinn

TITLE: Autonomous Optimization for Multifunctional Polymer Films

ADVISOR: Keith Brown, ME, MSE, Physics

COMMITTEE: Abigail Plummer ME, MSE; Andre Sharon ME, MSE; Joerg Werner ME, MSE, Chemistry

ABSTRACT: Multifunctional thin films are ubiquitous in modern technology, but designing such films with multiple distinct functionalities is currently a tedious and manual process. Here, I report my past and proposed future doctoral research on accelerating the optimization of multifunctional thin films through the development and utilization of novel assays, autonomous platforms, and learning strategies. The first topic introduces a novel high-throughput method for detecting sub-micron defects in insulating thin films using electrochemiluminescence (ECL). By optimizing the reagent concentrations, buffers, applied voltage, and excitation time, we maximize the ECL signal of luminol to the point that crack features as small as 2.5 nm in width are in principle detectable. This non-destructive technique provides a scalable approach for the automated characterization of multifunctional films. The second body of work focuses on the development and validation of a self-driving lab (SDL), namely the polymer analysis and discovery array (PANDA), that can perform both the synthesis and characterization of functional polymer films. This involved an iterative design process followed by extensive validation experiments to confidently use the custom fluid handling, optical, and electrochemical subsystems. As a proof-of-concept experimental campaign to study the functional properties of a model polymer film, we used the PANDA to autonomously optimize the electrochromic switching of electrodeposited poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) films. Future work will encompass three efforts. First, I will continue to support the collaborative work with the Werner research group on autonomously optimizing electrodeposited polymer films. Second, I will build upon and expand the analytical functionalities of the PANDA SDL to autonomously measure film surface energy and electrical conductivity. Third, I will develop a benchmarking system for the PANDA SDL to compare the performance and efficiency of human researchers with that of the SDL.