We work on various catalytic reactions so as to understand how to cleave and make chemical bonds. We emphasize on the ensemble effects due to the distribution of active compositions of bimetallic catalysts for different reactions. We directly calculate spectroscopic features and compare them to experimental results.


Representative publications
  1. Z.X. Yang, R.Q. Wu, and D.W. Goodman, "Chemical Properties of Au-adlayer on TiO2(110)", Phys. Rev. B 61, 14066 (2000).  pdf
  2. D.W. Yuan, X.G. Gong, and R.Q. Wu, "Ensemble effects on ethylene dehydrogenation on PdAu(001) surfaces investigated with first-principles calculations and nudged-elastic-band simulations", Phys. Rev. B 75, 233401 (2007).  pdf
  3. D.W. Yuan, X.G. Gong, and R.Q. Wu, "The peculiar distribution pattern of Pd on PdAu bimetallic nanoclusters", Phys. Rev. B 78, 035441 (2008).  pdf
  4. D.W. Yuan, X.G. Gong, and R.Q. Wu, "Origin of high activity and selectivity of PdAu(001) bimetallic surfaces toward vinyl acetate synthesis", J. Phys. Chem. C 112, 1539 (2008).  pdf
  5. Zongxian Yang, Zhaoming Fu, Yanning Zhang and Ruqian Wu, "Direct CO oxidation by lattice oxygen on Zr-doped ceria surfaces", Catal. Lett. 141, 78 (2011).  pdf
  6. X.F. Yang, Jun Hu, Jie Fu, R.Q. Wu, and Bruce E. Koel, "Role of Surface Iron in Enhanced Activity for the Oxygen Reduction Reaction on a Pd3Fe(111) Single-Crystal Alloy", Angew. Chem. Int. Ed. 50, 10182 (2011).  pdf
  7. Z.X. Yang, Y.X. Zhang, Z.M. Fu, and R.Q. Wu, "Unusual Stability and Activity of DI-Pd19 Clusters for O2 Dissociation", J. Phys. Chem. C 116, 19586 (2012).  pdf






Copyright 2013 by R.Wu