Analyzing the Case for Bifunctional Catalysis

Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers

(2015) Federico Calle-Vallejo et al.   Nature Chemistry

Hydrogen Adsorption, Dissociation, and Spillover on Ru10 Clusters Supported on Anatase TiO2 and Tetragonal ZrO2 (101) Surfaces

(2015) Hsin-Yi Tiffany Chen et al.   ACS Catalysis

New design paradigm for heterogeneous catalysts

(2015) Aleksandra Vojvodic et al.   National Science Review

The critical role of water at the gold-titania interface in catalytic CO oxidation

(2014) J. Saavedra et al.   SCIENCE

Brønsted–Evans–Polanyi Relationship for Transition Metal Carbide and Transition Metal Oxide Surfaces

(2013) Francesc Viñes et al.   Journal of Physical Chemistry C

On the Structure Sensitivity of Direct NO Decomposition over Low-Index Transition Metal Facets

(2013) Hanne Falsig et al.   TOPICS IN CATALYSIS

Hydrogen Spillover. Facts and Fiction

(2012) R. Prins   CHEMICAL REVIEWS

Reverse hydrogen spillover on and hydrogenation of supported metal clusters: insights from computational model studies

(2012) Georgi N. Vayssilov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CatApp: A Web Application for Surface Chemistry and Heterogeneous Catalysis

(2011) Jens S. Hummelshøj et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides

(2011) A. Vojvodic et al.   JOURNAL OF CHEMICAL PHYSICS

Universal transition state scaling relations for (de)hydrogenation over transition metals

(2011) S. Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions

(2010) Shengguang Wang et al.   CATALYSIS LETTERS

Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

(2010) Egill Skúlason et al.   Journal of Physical Chemistry C

Kinetic Model of Hydrogen Evolution at an Array of Au-Supported Catalyst Nanoparticles

(2010) Liya Wang et al.   Electrocatalysis

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces

(2008) Eva M. Fernández et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The nature of the active site in heterogeneous metal catalysis

(2008) Jens K. Nørskov et al.   CHEMICAL SOCIETY REVIEWS