Modeling the active sites of Co-promoted MoS2 particles by DFT

Competitive adsorption of nitrogen and sulphur compounds on a multisite model of NiMoS catalyst: A theoretical study

(2016) S. Humbert et al.   JOURNAL OF CATALYSIS

Atomic scale analysis of sterical effects in the adsorption of 4,6-dimethyldibenzothiophene on a CoMoS hydrotreating catalyst

(2016) Signe S. Grønborg et al.   JOURNAL OF CATALYSIS

Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies

(2015) Hong Li et al.   NATURE MATERIALS

Widely available active sites on Ni2P for electrochemical hydrogen evolution – insights from first principles calculations

(2015) Martin H. Hansen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Visualizing the Stoichiometry of Industrial-Style Co-Mo-S Catalysts with Single-Atom Sensitivity

(2014) Yuanyuan Zhu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Trends in Hydrodesulfurization Catalysis Based on Realistic Surface Models

(2014) Poul Georg Moses et al.   CATALYSIS LETTERS

Nanostructured hydrotreating catalysts for electrochemical hydrogen evolution

(2014) Carlos G. Morales-Guio et al.   CHEMICAL SOCIETY REVIEWS

Single-Layer MoS2 with Sulfur Vacancies: Structure and Catalytic Application

(2014) Duy Le et al.   Journal of Physical Chemistry C

Operando Characterization of an Amorphous Molybdenum Sulfide Nanoparticle Catalyst during the Hydrogen Evolution Reaction

(2014) Hernan G. Sanchez Casalongue et al.   Journal of Physical Chemistry C

Nanostructured Nickel Phosphide as an Electrocatalyst for the Hydrogen Evolution Reaction

(2013) Eric J. Popczun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

Atomic-Scale Edge Structures on Industrial-Style MoS2 Nanocatalysts

(2011) Lars P. Hansen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Recent developments of molybdenum and tungsten sulfides as hydrogen evolution catalysts

(2011) Daniel Merki et al.   Energy & Environmental Science

Free-energy profiles along reduction pathways of MoS2 M-edge and S-edge by dihydrogen: A first-principles study

(2011) Pierre-Yves Prodhomme et al.   JOURNAL OF CATALYSIS

Imaging MoS2 Nanocatalysts with Single-Atom Sensitivity

(2010) Christian Kisielowski et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The effect of Co-promotion on MoS2 catalysts for hydrodesulfurization of thiophene: A density functional study

(2009) Poul Georg Moses et al.   JOURNAL OF CATALYSIS

Trends for Methane Oxidation at Solid Oxide Fuel Cell Conditions

(2009) Jesper Kleis et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

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

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

Aerosol–cloud–precipitation interactions. Part 1. The nature and sources of cloud-active aerosols

(2008) M.O. Andreae et al.   EARTH-SCIENCE REVIEWS

Hydrogen evolution on nano-particulate transition metal sulfides

(2008) Jacob Bonde et al.   FARADAY DISCUSSIONS

Computational studies of (mixed) sulfide hydrotreating catalysts

(2007) Jean-François Paul et al.   CATALYSIS TODAY

Recent STM, DFT and HAADF-STEM studies of sulfide-based hydrotreating catalysts: Insight into mechanistic, structural and particle size effects

(2007) F. Besenbacher et al.   CATALYSIS TODAY