CAREER:Tailoring the nature of the active site of Ni electrocatalysts for electrochemical co-reduction of CO2 and H2O

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CAREER: Design of Robust Heterogeneous Electrocatalysts for Conversion of CO2 and H2O to SyngasExtensive use of fossil fuels and consequential high levels of CO2 emissions are major contemporary challenges. Solutions to these challenges will require the development of ways to activate reverse chemical pathways in which CO2 is converted back into high energy molecules (i.e., CO and hydrocarbon fuels) using renewable energy sources, such as solar and/or wind energy. These renewable energy sources are most conveniently used as electricity. Many proposed strategies for dealing with CO2 from chemical processes attempt the conversion of CO2 back to hydrocarbons. The conversion of CO2 and H2O to syngas (CO+H2) is one such process for which no efficient approach currently exists. Syngas is a convenient feedstock for making chemicals and fuels. The Principal Investigator Eranda Nikolla at Wayne State University proposes to utilize a combination of experimental and theoretical techniques to design robust electrocatalysts for the co-reduction of CO2 with H2O to syngas using solid oxide electrochemical systems (SOECs). SOECs are electrochemical systems that can facilitate the simultaneous co-reduction of CO2 with H2O to syngas with very high rates, due to the favorable reaction kinetics at their high operating temperatures. The proposed research will have a broad impact in advancing the field by providing a new fundamental methodology for designing robust electrocatalysts for efficient generation of syngas from CO2 and H2O, thereby addressing nationally important issues in energy and climate change. In addition, it will become a tool for (i) educating undergraduate WSU engineering students from underrepresented groups, (ii) promoting STEM career interest in K-12 students, through activities with local high schools, the Michigan Science Center and the NSF-sponsored GoGirls program, and (iii) training of graduate engineering students though research and course development. While electrochemical co-reduction of CO2 and H2O using SOECs offers a great deal of promise, the field is fairly unexplored. One of the main challenges with this process is the need to operate at high overall potential, due to activation overpotential losses (the difference between the potential required to activate an electrochemical process and the reversible potential) associated with the electrochemical reduction of CO2 and H2O on conventional cathode electrocatalysts. In order to address this challenge, the PI proposes to combine quantum chemical density functional theory (DFT) calculations with experimental electro-kinetic studies to identify the electrochemical steps that govern the overpotential losses associated with co-reduction of CO2 and H2O on conventional electrocatalytic surfaces. The objective is to utilize this knowledge to design improved electrocatalysts that will minimize the overpotential losses of controlling steps in the co-reduction process, thereby increasing the energy efficiency of the conversion process. The proposed work will provide a transformative new methodology for the discovery of robust and efficient electrocatalysts for conversion of CO2 and H2O to syngas. Furthermore, it will build the foundation for the PIs long-term goals of developing (i) a versatile research program, broadly aimed at discovering mechanistic insights about electrochemical transformation in solid-state electrochemical systems and translating this knowledge to ways to improve their performance, and (ii) interdisciplinary educational and outreach programs with the aim of advancing teaching, training and public awareness regarding energy and environment.