(4ac) Accelerating the Pace of Materials Discovery for Energy Conversion

Addressing the pressing challenges posed by the energy crisis and climate change demands immediate solutions to transition from fossil fuels to sustainable energy sources. Materials for energy technologies, like catalysts and batteries, stand as a key enabler in this transition. For instance, materials can be designed to facilitate green energy conversion processes, which rely on materials that can serve as either catalysts or storage materials, with superior properties like enhanced energy densities and lifetimes, activity, product selectivity, durability, and cost-effectiveness. However, the conventional approach to material discovery relies on a sequential synthesis-characterization-test cycle, which is time-consuming, inefficient, and largely serendipitous. To meet the demands for clean energy alternatives, there is an imperative need to accelerate the discovery of high-performing energy materials for energy conversion and storage.

The goal of my independent research program is to develop a new materials discovery platform for high-performance clean energy systems by integrating physics-based and data-driven methods. My research will focus on three major directions:

1. High-Throughput Materials Discovery Platform: I will develop an advanced high-throughput platform using advanced patterning and lithography techniques and additive manufacturing to synthesize and screen new energy materials efficiently.
2. Machine Learning Integration and Automated Laboratory: I will use the first-hand data generated from this platform to train machine learning algorithms and derive reliable materials design principles and useful descriptors for guiding the design of high-performing catalysts. I hope to integrate this platform and machine learning into an automated laboratory to accelerate the materials discovery process.
3. System Performance and Fundamental Studies: I will validate the performance of these materials in real chemical engineering systems to demonstrate their practical value. At the same time, I will study the fundamental properties of the newly discovered materials to better understand the underlying mechanisms.

By pursuing these directions, my research aims to significantly advance the discovery and application of materials for clean energy systems.

Prior Work

My research has focused on discovering highly efficient and cost-effective electrocatalysts for energy conversion, aiming to address the pressing challenges of energy crises and climate change. I obtained my Ph.D. in Materials Science and Engineering from the University of California, Los Angeles (UCLA) in 2021, advised by Prof. Yu Huang. In one area of research, I focused on developing descriptors for the design of high-performance electrocatalysts in energy conversion devices. Notably, I developed a binary experimental descriptor (BED), which integrates theoretical modeling with experimental observations to guide the design of active and stable oxygen reduction reaction (ORR) catalysts in fuel cells. Based on the BED, I have successfully designed and synthesized superior catalyst candidates, including a slow-dealloyed PtNiCo, which showed both high activity and stability simultaneously. Another output of this work was the identification of an ultrathin PtCo nanowire, which showed record-high mass activity in fuel cells, and a core-shell tetrahedra PtCuNi as an efficient and multifunctional catalyst. Building upon the BED, I discovered a “surface molecular pump” to tailor the catalyst-electrolyte interface and enhance surface microkinetics, leading to an unprecedented specific activity.

In my postdoctoral research, where I studied with Prof. Chad A. Mirkin at Northwestern University, I am pursuing a distinct yet related area of research that utilizes a high-throughput and highly automated materials discovery platform known as nanoparticle ‘megalibraries’. More specifically, the megalibrary platform is a combinatorial synthesis and screening approach that relies on massively parallel scanning probe lithography, to yield hundreds of millions of distinct nanomaterials in a single experiment, and high-throughput characterization modalities. So far, my research has focused on developing high-throughput combinatorial screening techniques and combining these results into machine learning algorithms. In doing so, I led a project that allowed for the discovery of a new low-Ir and non-Ir catalysts for challenging acidic oxygen evolution reaction (OER), a critical anode reaction for various aqueous electrochemical reactions. The performance of these catalysts has also been validated when scaled for various electrochemical setups such as three-electrode setup and proton-exchange membrane electrolyzer.

Selected publications

1. Huang, L. Sementa, Z. Liu, G. Barcaro, M. Feng, E. Liu, L. Jiao, M. Xu, D. Leshchev, S. Lee, M. Li, C. Wan, E. Zhu, Y. Liu, B. Peng, X. Duan, W. A. Goddard III*, A. Fortunelli*, Q. Jia*, and Y. Huang*, Experimental Sabatier plot for predictive design of active and stable Pt-alloy oxygen reduction reaction catalysts, Nat. Catal., 5, 513–523, 2022
2. Huang†, Z. Wang†, J. Pietryga, Z. Ye, P. T. Smith, C. R. McCormick, B. Peng, A. Kulaksizoglu, Z. Liu, K. Xie, S. B. Torrisi, J. H. Montoya, E. H. Sargent* and C. A. Mirkin*, Changing the pace of OER catalyst discovery through megalibraries (Under submission, 2024)
3. Huang†, B. Peng†, C. Zhu†, M. Xu, Y. Liu, Z. Liu, J. Zhou, S. Wang, X. Duan, H. Heinz*, and Y. Huang*, Surface molecular pump enables ultrahigh catalyst activity, Sci. Adv. (Accepted, 2024)
4. Huang, Y. Liu, M. Xu, C. Wan, H. Liu, M. Li, Z. Huang, X. Duan, X. Pan and Y. Huang*, PtCuNi Tetrahedra Catalysts with Tailored Surfaces for Efficient Alcohol Oxidation, Nano Lett., 19, 8, 5431-5436, 2019
5. Huang†, B. Peng†, Z. Liu, A. Zhang, M. Xu, Y. Liu, Q. Jia, X. Duan, and Y. Huang*, 1D PtCo nanowires as catalysts for PEMFCs with low Pt loading, Sci. China Mater., 65, 704-711, 2022

Teaching interests

My teaching and mentoring philosophy is grounded in three major principles. First, I believe that self-driven learning is one of the most effective educational approaches. This can be achieved through enthusiastic engagement in research mentoring such as having inspiring scientific conversation and presenting and fostering critical thinking. Second, fostering an open and inclusive environment, along with providing necessary training and support, is essential for promoting self-driven learning. Third, teaching and mentoring are highly individualized, necessitating effective communication and learning styles tailored to the unique needs of each student.

My teaching experience spans a wide range of courses where I have received positive feedback from both the chemistry and the materials science and engineering departments. I have continuously sought out opportunities to enhance my teaching abilities and skills. For example, I actively participated as a trainee in Northwestern’s quarter-long Mentored Discussion of Teaching Certificate Program, where I received systematic training on teaching and mentoring techniques.

In my independent career, I am excited to teach courses at the undergraduate and graduate levels that fall under the disciplines of chemical engineering. I would be enthusiastic about teaching advanced chemical enegineering courses related to thermodynamics, chemical engineering process, reaction engineering and electrochemical processes. Further, I am enthusiastic about developing new courses such as Electrochemical Systems and Energy Materials: Challenges and Advances in Sustainability. Overall, my goal is to teach fundamental science while also integrating topics at the cutting-edge of science topics related to materials, chemical engineering, and energy technologies poised to address global sustainability challenges. These topics are important for future generations, and I believe that by exposing students to the latest discoveries that will inspire them to seek out opportunities to contribute to these areas in their own careers post-graduation. Through these educational goals, I aim to empower students to leave the classroom equipped to tackle pressing global challenges to make meaningfully contributions to real-world challenges.

Selected Honors and Awards

2023 ENFL Future Investigator spotlight, Energy and Fuels Division, American Chemical Society

2023 IIN Postdoctoral Fellowship, International Institute for Nanotechnology

2022 Outstanding Materials Science PhD, UCLA

2020 Dissertation Year Fellowship, UCLA