Volume 57, Issue 1-4

February 2014

The Future of Catalysis: A Symposium Honoring Professor Jens K. Nørskov. Editors: Felix Studt, Frank Abild-Pedersen, Thomas Bligaard, Anders Nilsson

27 articles in this issue

Preface
Felix Studt
Frank Abild-Pedersen
Anders Nilsson
Preface 22 October 2013 Pages: 1 - 1
A Molecular Perspective on the d-Band Model: Synergy Between Experiment and Theory
Lars Gunnar Moody Pettersson
Anders Nilsson
Original Paper 22 October 2013 Pages: 2 - 13
Expanding and Reducing Complexity in Materials Science Models with Relevance in Catalysis and Energy
K. Honkala
Z. Łodziana
N. Lopez
Original Paper 29 October 2013 Pages: 14 - 24
Electronic Structure Effects in Transition Metal Surface Chemistry
A. Vojvodic
J. K. Nørskov
F. Abild-Pedersen
Original Paper 05 November 2013 Pages: 25 - 32
Genetic Algorithm Procreation Operators for Alloy Nanoparticle Catalysts
Steen Lysgaard
David D. Landis
Tejs Vegge
Original Paper 24 October 2013 Pages: 33 - 39
Global Optimization of Adsorbate–Surface Structures While Preserving Molecular Identity
Andrew A. Peterson
Original Paper 22 October 2013 Pages: 40 - 53
Atomic and Molecular Adsorption on Re(0001)
Konstanze Hahn
Manos Mavrikakis
Original Paper 29 October 2013 Pages: 54 - 68
Adsorption and Diffusion of 4d and 5d Transition Metal Adatoms on Graphene/Ru(0001) and the Implications for Cluster Nucleation
Bradley F. Habenicht
Dieh Teng
Ye Xu
Original Paper 26 October 2013 Pages: 69 - 79
On the Structure Sensitivity of Direct NO Decomposition over Low-Index Transition Metal Facets
Hanne Falsig
Juan Shen
Thomas Bligaard
Original Paper 29 October 2013 Pages: 80 - 88
Coverage-Dependent Adsorption at a Low Symmetry Surface: DFT and Statistical Analysis of Oxygen Chemistry on Kinked Pt(321)
J. M. Bray
J. L. Smith
W. F. Schneider
Original Paper 02 November 2013 Pages: 89 - 105
Simulating Temperature Programmed Desorption of Oxygen on Pt(111) Using DFT Derived Coverage Dependent Desorption Barriers
Spencer D. Miller
Vladimir V. Pushkarev
John R. Kitchin
Original Paper 22 October 2013 Pages: 106 - 117
Catalytic Dry Reforming of Methane on Ruthenium-Doped Ceria and Ruthenium Supported on Ceria
Alan R. Derk
George M. Moore
Horia Metiu
Original Paper 22 October 2013 Pages: 118 - 124
Ethanol Synthesis from Syngas on Transition Metal-Doped Rh(111) Surfaces: A Density Functional Kinetic Monte Carlo Study
Liu Yang
Ping Liu
Original Paper 26 October 2013 Pages: 125 - 134
Activity and Selectivity Trends in Synthesis Gas Conversion to Higher Alcohols
Andrew J. Medford
Adam C. Lausche
Felix Studt
OriginalPaper 17 October 2013 Pages: 135 - 142
Methanol Conversion to Hydrocarbons (MTH) Over H-ITQ-13 (ITH) Zeolite
Wegard Skistad
Shewangizaw Teketel
Karl Petter Lillerud
Original Paper 29 October 2013 Pages: 143 - 158
CO Oxidation on Pd(100) Versus PdO(101)-\((\sqrt{5}\times \sqrt{5})R27^{\circ}\): First-Principles Kinetic Phase Diagrams and Bistability Conditions
Max J. Hoffmann
Karsten Reuter
Original Paper 23 October 2013 Pages: 159 - 170
Modeling Methyl Chloride Photo Oxidation by Oxygen Species on TiO₂(110)
Henrik H. Kristoffersen
Umberto Martinez
Bjørk Hammer
Original Paper 29 October 2013 Pages: 171 - 176
Influence of the Metal Oxide Substrate Structure on Vanadium Oxide Monomer Formation
Alexis M. Johnson
Brian R. Quezada
Peter C. Stair
Original Paper 17 October 2013 Pages: 177 - 187
Microstructural and Defect Analysis of Metal Nanoparticles in Functional Catalysts by Diffraction and Electron Microscopy: The Cu/ZnO Catalyst for Methanol Synthesis
Timur Kandemir
Igor Kasatkin
Malte Behrens
Original Paper 25 October 2013 Pages: 188 - 206
Morphology and Atomic-Scale Structure of MoS₂ Nanoclusters Synthesized with Different Sulfiding Agents
Henrik G. Füchtbauer
Anders K. Tuxen
Flemming Besenbacher
Original Paper 26 October 2013 Pages: 207 - 214
Unifying Solution and Surface Electrochemistry: Limitations and Opportunities in Surface Electrocatalysis
Venkatasubramanian Viswanathan
Heine Anton Hansen
Original Paper 23 October 2013 Pages: 215 - 221
Oxygen Reduction on Structurally Well Defined, Bimetallic PtRu Surfaces: Monolayer Pt_xRu_1−x/Ru(0001) Surface Alloys Versus Pt Film Covered Ru(0001)
S. Brimaud
A. K. Engstfeld
R. J. Behm
Original Paper 23 October 2013 Pages: 222 - 235
Core–Shell and Nanoporous Particle Architectures and Their Effect on the Activity and Stability of Pt ORR Electrocatalysts
Lin Gan
Chunhua Cui
Peter Strasser
Original Paper 26 October 2013 Pages: 236 - 244
Pt Skin Versus Pt Skeleton Structures of Pt₃Sc as Electrocatalysts for Oxygen Reduction
T. P. Johansson
E. T. Ulrikkeholm
I. Chorkendorff
Original Paper 26 October 2013 Pages: 245 - 254
Selective Electrocatalysis on Platinum Nanoparticles with Preferential (100) Orientation Prepared by Cathodic Corrosion
Matteo Duca
Paramaconi Rodriguez
Marc T. M. Koper
Original Paper 18 October 2013 Pages: 255 - 264
Calculated Pourbaix Diagrams of Cubic Perovskites for Water Splitting: Stability Against Corrosion
Ivano E. Castelli
Kristian S. Thygesen
Karsten W. Jacobsen
Original Paper 24 October 2013 Pages: 265 - 272
Catalytic Activity of Pt Nano-Particles for H₂ Formation
Egill Skúlason
Avan A. Faraj
Hannes Jónsson
Original Paper 23 October 2013 Pages: 273 - 281

Volume 57, Issue 1-4

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