Ausgabe 5-6/2010
CONVERGENCE OF THEORY AND EXPERIMENT-SURFACE CHEMISTRY AND CATALYSIS: Editor: J.T. Yates, Jr.
Inhalt (14 Artikel)
Original Paper
Understanding Trends in Catalytic Activity: The Effect of Adsorbate–Adsorbate Interactions for CO Oxidation Over Transition Metals
Lars C. Grabow, Britt Hvolbæk, Jens K. Nørskov
Open Access
Original Paper
Major Successes of Theory-and-Experiment-Combined Studies in Surface Chemistry and Heterogeneous Catalysis
Gabor A. Somorjai, Yimin Li
Original Paper
Some Understanding of Fischer–Tropsch Synthesis from Density Functional Theory Calculations
Jun Cheng, P. Hu, Peter Ellis, Sam French, Gordon Kelly, C. Martin Lok
Original Paper
Theoretical Prediction and Experimental Verification of Stability of Pt–3d–Pt Subsurface Bimetallic Structures: From Single Crystal Surfaces to Polycrystalline Films
Carl A. Menning, Jingguang G. Chen
Original Paper
Establishing Relationships Between the Geometric Structure and Chemical Reactivity of Alloy Catalysts Based on Their Measured Electronic Structure
Neil Schweitzer, Hongliang Xin, Eranda Nikolla, Jeffrey T. Miller, Suljo Linic
Original Paper
Self Blocking of CO Dissociation on a Stepped Ruthenium Surface
S. B. Vendelbo, M. Johansson, D. J. Mowbray, M. P. Andersson, F. Abild-Pedersen, J. H. Nielsen, J. K. Nørskov, I. Chorkendorff
Original Paper
Insights from Theory on the Relationship Between Surface Reactivity and Gold Atom Release
Thomas A. Baker, Efthimios Kaxiras, Cynthia M. Friend
Original Paper
RPBE-vdW Description of Benzene Adsorption on Au(111)
Jess Wellendorff, André Kelkkanen, Jens Jørgen Mortensen, Bengt I. Lundqvist, Thomas Bligaard
Original Paper
Hydrogen on and in Selected Overlayer Near-Surface Alloys and the Effect of Subsurface Hydrogen on the Reactivity of Alloy Surfaces
Shampa Kandoi, Peter A. Ferrin, Manos Mavrikakis
Original Paper
Desulfurization Reactions on Surfaces of Metal Carbides: Photoemission and Density–Functional Studies
José A. Rodriguez, Ping Liu, Yoshiro Takahashi, Kenichi Nakamura, Francesc Viñes, Francesc Illas
Open Access
Original Paper
Symmetric Transition State Analysis: An Analysis of Dissociative Methane Adsorption on Rh{111} Using Quantum Chemical Calculations
Bouke S. Bunnik, Gert-Jan Kramer, Rutger van Santen