Computational Surface Science and Catalysis Group

Sha Li

B.E. Chemical Engineering
Tianjin University, Tianjin, P. R. China

2745 Engineering Hall
608-265-3777
sli…@wisc.edu

Publications:

  1. “On the Structure Sensitivity of Formic Acid Decomposition on Cu Catalysts”, S. Li, J. Scaranto, and M. Mavrikakis, Topics in Catalysis 59, 1580 (2016). [DOI]

  2. “Trends in Formic Acid Decomposition on Model Transition Metal Surfaces: A Density Functional Theory study”, J. A. Herron , J. Scaranto , P. Ferrin , S. Li , and M. Mavrikakis, ACS Catalysis 4, 4434 (2014). [DOI]

  3. “Catalytically active Au-O(OH)x- species stabilized by alkali ions on zeolites and mesoporous oxides”, M. Yang, S. Li, Y. Wang, J. A. Herron, Y. Xu, L. F. Allard, S. Lee, J. Huang, M. Mavrikakis, M. Flytzani-Stephanopoulos, Science (2014). [DOI]

  4. “Formic Acid Decomposition on Au Catalysts: DFT, Microkinetic Modeling, and Reaction Kinetics Experiments”,  S. Singh, S. Li, R. Carrasquillo-Flores, A. C. Alba-Rubio, J. A.   Dumesic, M. Mavrikakis,  AIChE Journal  60, 1303 (2014). [DOI]