Chuan Shi

Post Doctoral Researcher

My research interests lie in the nature of the electrochemical interface of water and metals for the purpose of better understanding electrochemical CO2 reduction to hydrocarbons. I use DFT to model the interface and gain insight on the kinetics of proton-electron transfers relevant to CO2 reduction. I also apply thermodynamic understanding of CO2 reduction to search for novel alloy catalysts through the use of scaling relations and simplified coverage effects. I am a PhD candidate in Chemical Engineering at Stanford University that works with SUNCAT through my advisor, Jens Nørskov.

Theory PIs: 


Barriers of Electrochemical CO2 Reduction on Transition Metals. Chuan Shi, Karen Chan, Jong Suk Yoo, Jens K. Nørskov . Organic Process Research and Development. 2016. Theoretical Study of EMIM+ Adsorption on Silver Electrode Surfaces. Makoto Urushihara, Karen Chan, Chuan Shi, Jens K. Nørskov. Journal of Physical Chemistry C, 119, 20023-20029. 2015.
Theoretical Insights into a CO Dimerization Mechanism in CO2 Electroreduction. Joseph H. Montoya, Chuan Shi, Karen Chan, Jens K. Nørskov. Journal of Physical Chemistry Letters, 6, 2032-2037. 2015. CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends. Andrew J. Medford, Chuan Shi, Max J. Hoffmann, Adam C. Lausche, Sean R. Fitzgibbon, Thomas Bligaard, Jens K. Nørskov. Catalysis Letters, 145, 794-807. 2015.
Trends in electrochemical CO2 reduction activity for open and close-packed metal surfaces. Chuan Shi, Heine A. Hansen, Adam C. Lausche, Jens K. Nørskov. Physical Chemistry Chemical Physics, 16, 4720-4727. 2014. Electroreduction of Methanediol on Copper. Heine A. Hansen, Joseph H. Montoya, Yin-Jia Zhang, Chuan Shi, Andrew A. Peterson, Jens K. Nørskov. Catalysis Letters, 143, 631-635. 2013.
Modeling CO2 reduction on Pt(111). Chuan Shi, Christopher P. O'Grady, Andrew A. Peterson, Heine A. Hansen, Jens K. Nørskov. Physical Chemistry Chemical Physics, 15, 7114-7122. 2013.