Computational Surface Science and Catalysis Group

Guowen Peng

Ph.D. Condensed Matter Physics
National University of Singapore

M.S. Theoretical Physics
Dalian University of Technology, China

B.S. Physics
Gannan Teachers College, China

2723 Engineering Hall
608-265-3777
gpe…@wisc.edu

Publications:

  1. “Direct Visualization of Catalytically Active Sites at the FeO–Pt(111) Interface”, W. Kudernatsch, G. Peng, H. Zeuthen, Y. Bai, L. R. Merte, L. Lammich, F. Besenbacher, M. Mavrikakis, and S. Wendt ACS Nano 9, 7804 (2015). [DOI]

  2. “Controlling the electronic structure of graphene using surface-adsorbate interactions”, P. Matyba, A. Carr, C. Chen, D. L. Miller, G. Peng, S. Mathias, M. Mavrikakis, D. S. Dessau, M. W. Keller, H. C. Kapteyn, and M. Murnane Physical Review B 92, 041407(R) (2015). [DOI]

  3. “The nature of the Fe-graphene interface at the nanometer level”, M. Cattelan, G. W. Peng, E. Cavaliere, L. Artiglia, A. Barinov, L. T. Roling, M. Favaro, I. Píš, S. Nappini, E. Magnano, F. Bondino, L. Gavioli, S. Agnoli, M. Mavrikakis and G. Granozzi, Nanoscale 7, 2450 (2015). [DOI]

  4. “Adsorbate Diffusion on Transition Metal Nanoparticles”, G. Peng and M. Mavrikakis, Nano Letters 15, 629 (2015). [DOI]

  1. “Significant Quantum Effects in Hydrogen Activation“, G. Kyriakou, E. R. M. Davidson, G. W. Peng, L. T. Roling, S. Singh, M. B. Boucher, M. D. Marcinkowski, M. Mavrikakis, A. Michaelides, E. C. H. Sykes, ACS Nano, (2014).[DOI]
  1. “Structure of Stoichiometric and Oxygen-Rich Ultrathin FeO(111) Films Grown on Pd(111)”, H. Zeuthen, W. Kudernatsch, G. W. Peng, L. R. Merte, L. K. Ono, L. Lammich, Y. Bai, L. C. Grabow, M. Mavrikakis, S. Wendt, F. Besenbacher, Journal of Physical Chemistry C  117, 15155 (2013). [DOI]
  1. “Mechanistic Studies of Oxygen Reduction by Hydrogen on PdAg(110)”, C. A. Farberow, A. Godinez-Garcia, G. W. Peng, J. F. Perez-Robles, O. Solorza-Feria, M. Mavrikakis, ACS Catalysis 3, 1622 (2013). [DOI]
  1. “Water-Mediated Proton Hopping on an Iron Oxide Surface”, L. R. Merte, G. W. Peng, R. Bechstein, F. Rieboldt, C. A. Farberow, L. C. Grabow, W. Kudernatsch, S. Wendt, E. Lægsgaard, M. Mavrikakis, F. Besenbacher, Science  336, 889 (2012). [DOI]
  1. “Oxygen Reduction Reaction on Platinum-Terminated “Onion-structured” Alloy Catalysts”, J. A. Herron, J. Jiao, K. Hahn, G. W. Peng, R. R. Adzic, M. Mavrikakis, Electrocatalysis  3, 192 (2012). [DOI]
  1. “Quantum Tunneling Enabled Self-Assembly of Hydrogen Atoms on Cu(111)”, A. D. Jewell, G. W. Peng, M. F. G. Mattera, E. A. Lewis, C. J. Murphy, G. Kyriakou, M. Mavrikakis, E. C. H. Sykes, ACS Nano  6, 10115 (2012). [DOI]
  1. “CO2 Hydrogenation to Formic Acid on Ni(110)”, G. W. Peng, S. J. Sibener, G. C. Schatz, M. Mavrikakis, Surface Science  606, 1050 (2012). [DOI]
  1. “CO2 Hydrogenation to Formic Acid on Ni(111)”, G. W. Peng, S. J. Sibener, G. C. Schatz, S. T. Ceyer, M. Mavrikakis, Journal of Physical Chemistry C  116, 3001 (2012). [DOI]
  1. “Molecular-Scale Structure of a Nitrobenzene Monolayer on Si(001)”, G. W. Peng, S. Seo, R. E. Ruther, R. J. Hamer, M. Mavrikakis, P. G. Evans, Journal of Physical Chemistry C  115, 3011 (2011). [DOI]
  1. “Tip-Dependent Scanning Tunneling Microscopy Imaging of Ultrathin FeO Films on Pt(111)”, L. R. Merte, L. C. Grabow, G. Peng, J. Knudsen, H.Zeuthen, W. Kudernatsch, S. Porsgaard, E. Lægsgaard, M. Mavrikakis, F. Besenbacher, Journal of Physical Chemistry C  115, 2089 (2011). [DOI]
  1. “On the Mechanism of Low-Temperature CO Oxidation on Ni(111) and NiO(111) Surfaces”, G. W. Peng, L. R. Merte, J. Knudsen, R. T. Vang, E. Laegsgaard, F. Besenbacher, M. Mavrikakis, Journal of Physical Chemistry C 114, 21579 (2010). [DOI]
  1. “Alkali-Stabilized Pt-OHx Species Catalyze Low-Temperature Water-Gas Shift Reactions”, Y. P. Zhai, D. Pierre, R. Si, W. L. Deng, P. Ferrin, A. U. Nilekar, G. W. Peng, J. A. Herron, D. C. Bell, H. Saltsburg, M. Mavrikakis, M. Flytzani-Stephanopoulos, Science  329, 1633 (2010). [DOI]
  1. “Low-Temperature CO Oxidation on Ni(111) and on a Au/Ni(111) Surface Alloy”, J. Knudsen, L. R. Merte, G. W. Peng, R. T. Vang, A. Resta, E. Laegsgaard, J. N. Andersen, M. Mavrikakis, F. Besenbacher, ACS Nano  4, 4380 (2010). [DOI]
  1. “Conductance of Conjugated Molecular Wires: Length Dependence, Anchoring Groups, and Band Alignment”,G. W. Peng, M. Strange, K. S. Thygesen, M. Mavrikakis, Journal of Physical Chemistry C    113, 20967 (2009). [DOI]
  1. “Improving Electrocatalysts for O2 Reduction by Fine-Tuning the Pt-Support Interaction: Pt Monolayer on the Surfaces of a Pd3Fe(111) Single-Crystal Alloy”, W. P. Zhou, X. F. Yang, M. B. Vukmirovic, B. E. Koel, J. Jiao, G. W. Peng, M. Mavrikakis, R. R. Adzic, Journal of the American Chemical Society   131, 12755 (2009). [DOI]
  1. “The role of sp-hybridized atoms in carbon ferromagnetism: a spin-polarized density functional theory calculation”, X. F. Fan, L. Liu, R. Q. Wu, G. W. Peng, H. M. Fan, Y. P. Feng, J. L. Kuo, Z. X. Shen, Journal of  Physics: Condensed  Matter  22, 046001 (2010). [DOI]
  1. “Interface properties of Ge3N4/Ge(111): Ab initio and x-ray photoemission spectroscopy study”, M. Yang, G. W. Peng, R. Q. Wu, W. S. Deng, L. Shen, Q. Chen, Y. P. Feng, J. W. Chai, J. S. Pan, S. J. Wang, Applied  Physics Letters 93, 222907 (2008). [DOI]
  1. “Mechanism of ferromagnetism in nitrogen-doped ZnO: First-principle calculations”, L. Shen, R. Q. Wu, H. Pan, G. W. Peng, M. Yang, Z. D. Sha, Y. P. Feng, Physical  Review B  78, 073306 (2008). [DOI]
  1. “Size-dependent magnetism and spin-glass behavior of amorphous NiO bulk, clusters, and nanocrystals: Experiments and first-principles calculations”,  J. B. Yi, J. Ding, Y. P. Feng, G. W. Peng, G. M. Chow, Y. Kawazoe, B. H. Liu, J. H. Yin, S. Thongmee, Physical  Review B  76, 224402 (2007). [DOI]
  1. “Ab initio study on intrinsic defect properties of germanium nitride considered for gate dielectric”,  M. Yang, S. J. Wang, G. W. Peng, R. Q. Wu, Y. P. Feng, Applied  Physics Letters  91, 132906 (2007). [DOI]
  1. “Anomalous strain dependent effective masses in (111) Si nanowires”, G. W. Peng and Y. P. Feng, Applied Physics Letters  91, 083116 (2007). [DOI]
  1. “First-principles simulations of Si vacancy diffusion in erbium silicide”, G. W. Peng, Y. P. Feng, M. Bouville, D. Z. Chi, A. C. H. Huan, D. J. Srolovitz, Physical  Review B  76, 033303 (2007). [DOI]
  1. “Electronic structure of germanium nitride considered for gate dielectrics”, M. Yang, S. J. Wang, G. W. Peng, R. Q. Wu, Y. P. Feng, Y. Y. Sun, Journal of  Applied Physics  102, 013507 (2007). [DOI]
  1. “Formation and stabilization of Fe-induced magic clusters on Si(111)-(7×7) template”,  M. A. K. Zilani, Y. Y. Sun, H. Xu, G. W. Peng, Y. P. Feng, X. S. Wang, A. T. S. Wee, Surface Science  601, 2486 (2007). [DOI]
  1. “Mechanisms of Si diffusion in erbium silicide”, G. W. Peng, Y. P. Feng, A. C. H. Huan, M. Bouville, D. Z. Chi, D. J. Srolovitz, Physical  Review B  75, 125319 (2007). [DOI]
  1. “Structural and electronic properties of 4 A carbon nanotubes on Si(001) surfaces”, G. W. Peng, A. C. H. Huan, L. Liu, Y. P. Peng, Physical  Review B  74, 235416 (2006). [DOI]
  1. “Adsorption and diffusion of Co on the Si(001) surface”, G. W. Peng, A. C. H. Huan, E. S. Tok, Y. P. Feng, Physical Review B  74, 195335 (2006). [DOI]
  1. “Ferromagnetism in Mg-doped AlN from ab initio study”, R. Q. Wu, G. W. Peng, L. Liu , and Y. P. Feng, Z. G. Huang, Q. Y. Wu, Applied  Physics Letters  89, 142501 (2006). [DOI]
  1. “Dimer rotation on the carbon-induced Si(001)-c(4×4) structure”,  G. W. Peng, Y. Y. Sun, A. C. H. Huan, Y. P. Feng, Physical  Review B  74, 115302 (2006). [DOI]
  1. “Wurtzite NiO: A potential half-metal for wide gap semiconductors”, R. Q. Wu, G. W. Peng, L. Liu, Y. P. Feng,Applied  Physics Letters  89, 082504 (2006). [DOI]
  1. “Cu-doped GaN: A dilute magnetic semiconductor from first-principles study”, R. Q. Wu, G. W. Peng, L. Liu, and Y. P. Feng, Z. G. Huang, Q. Y. Wu, Applied  Physics Letters  89, 062505 (2006). [DOI]
  1. “First principles study on the interface of CrSb/GaSb heterojunction”,  R. Q. Wu, L. Liu, G. W. Peng, Y. P. Feng,Journal of  Applied Physics  99, 093703 (2006). [DOI]
  1. “Energetic and magnetic properties of transition-metal nanowire encapsulated BxCyNz composite nanotubes”,G. W. Peng, A. C. H. Huan, Y. P. Feng, Applied  Physics Letters  88, 193117 (2006). [DOI]
  1. “Interaction of manganese with single-walled B2O nanotubes: An ab initio study”, G. W. Peng, Y. P. Feng, A. C. H. Huan, Physical  Review B  73, 155429 (2006). [DOI]
  1. “Possible graphitic-boron-nitride-based metal-free molecular magnets from first principles study”, R. Q. Wu, L. Liu, G. W. Peng, Y. P. Feng, Journal of  Physics: Condensed  Matter  18, 569 (2006). [DOI]
  1. “Atomic structure of the 6H-SiC(0001) nanomesh”, W. Chen, H. Xu, L. Liu, X. Y. Gao, D. C. Qi, G. W. Peng, S. C. Tan, Y. P. Feng, K. P. Loh, A. T. S. Wee, Surface Science  596, 176 (2005). [DOI]
  1. “Magnetism in BN nanotubes induced by carbon doping”, R. Q. Wu, L. Liu, G. W. Peng, Y. P. Feng,Applied  Physics Letters  86, 122510 (2005). [DOI]
  1. “Instability of the Randall-Sundrum model and exact bulk solutions”, H. Y. Liu, G. W. Peng, General Relativity and Gravitation  34, 1579 (2002). [DOI]
  1. “Quantum effects of an extra compact dimension on the wave function of the Universe”, G. W. Peng, Q. Y. Zhang, H. Y. Liu, International Journal of Theoretical Physics  41, 1127 (2002). [DOI]