Session: 19-01: Symposium to Honor Professor Jane Davidson I

Paper Number: 169944

169944 - Advancements in Solar-Thermochemical Splitting of H2o and Co2: Integrating Thermodynamic Modeling With Computational Material Design 

Abstract: 

The solar-thermochemical (STC) splitting of water and carbon dioxide presents a promising route for sustainable fuel production, aligning with global decarbonization efforts. Central to enhancing the efficiency of STC processes are the development of advanced redox-active metal oxides and the optimization of reactor designs. Our research emphasizes a holistic approach, recognizing the inseparable nature of the reduction and re-oxidation reactions within the STC cycle. Through the development of a material-independent thermodynamic model, we have elucidated the performance trade-offs associated with varying enthalpies of reduction, reduction temperatures, and reaction yields. This model underscores the constraints imposed by operational parameters, such as temperature and oxygen partial pressure during reduction, on cycle performance and material thermodynamics.​

Guided by these insights, our computational chemistry efforts have identified the calcium-cerium-titanium-manganese (CCTM) oxide system as a promising candidate for next-generation STC materials. This presentation will provide an overview of the STC process, highlighting key advancements and challenges, and will delve into our computational and experimental investigations of the CCTM phase space. We will discuss the synthesis, characterization, and thermodynamic evaluation of these materials, emphasizing their potential to enhance STC efficiency. Additionally, we will reflect on collaborative experiences with Professor Jane Davidson, whose pioneering work has significantly influenced the field of solar energy and continues to inspire ongoing research in solar fuel production.

Presenting Author: Ellen Stechel Arizona State University - LightWorks

Presenting Author Biography: Ellen B. Stechel is Executive Director of the Center for an Arizona Carbon-Neutral Economy (AzCaNE) and Co-Director of Arizona State University (ASU) - LightWorks®. She is also a Professor of Practice in the School of Molecular Sciences and a Senior Global Futures Scientist in the Julie Ann Wrigley Global Futures Laboratory at ASU. With a Ph.D. in chemical physics from the University of Chicago, her career spans a National Laboratory, Automotive Industry, Government, Non-Profit, and Academia. She focuses on solar-driven systems for sustainable fuels, low-carbon hydrogen, clean water, renewable ammonia, low-carbon industrial heat, and long duration energy storage. She has published over 200 peer-reviewed articles and serves in multiple national and international advisory and editorial roles.