Methanol dissociation on bimetallic surfaces: validity of the general Brønsted–Evans–Polanyi relationship for O–H bond cleavage

Unexpectedly large impact of van der Waals interactions on the description of heterogeneously catalyzed reactions: the water gas shift reaction on Cu(321) as a case example

(2016) Hèctor Prats et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Sustainable Hydrogen Production by Ethanol Steam Reforming using a Partially Reduced Copper-Nickel Oxide Catalyst

(2015) Li-Chung Chen et al.   ChemSusChem

Mechanistic Study of Carbon Monoxide Methanation over Pure and Rhodium- or Ruthenium-Doped Nickel Catalysts

(2015) José L. C. Fajín et al.   Journal of Physical Chemistry C

Highly selective Pd–Cu/ZnAl2O4 catalyst for hydrogen production

(2014) Pawel Mierczynski et al.   APPLIED CATALYSIS A-GENERAL

Generalized Brønsted–Evans–Polanyi relationships and descriptors for O–H bond cleavage of organic molecules on transition metal surfaces

(2014) José L.C. Fajín et al.   JOURNAL OF CATALYSIS

DFT study of the adsorption and dissociation of water on Ni(111), Ni(110) and Ni(100) surfaces

(2014) Abas Mohsenzadeh et al.   SURFACE SCIENCE

A DFT study of the NO dissociation on gold surfaces doped with transition metals

(2013) José L. C. Fajín et al.   JOURNAL OF CHEMICAL PHYSICS

Nano-dimensional CeO2 nanorods for high Ni loading catalysts: H2 production by autothermal steam reforming of methanol reaction

(2013) R. Pérez-Hernández et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accounting for van der Waals interactions between adsorbates and surfaces in density functional theory based calculations: selected examples

(2013) João P. Prates Ramalho et al.   RSC Advances

Bio-ethanol steam reforming and autothermal reforming in 3-μm channels coated with RhPd/CeO2 for hydrogen generation

(2012) Núria J. Divins et al.   CHEMICAL ENGINEERING AND PROCESSING

Production of Hydrogen from Ethanol: Review of Reaction Mechanism and Catalyst Deactivation

(2012) Lisiane V. Mattos et al.   CHEMICAL REVIEWS

Bimetallic catalysts for hydrogen generation

(2012) Zhehao Wei et al.   CHEMICAL SOCIETY REVIEWS

Catalytic reactivity of face centered cubic PdZnα for the steam reforming of methanol

(2012) Barr Halevi et al.   JOURNAL OF CATALYSIS

Water Dissociation on Bimetallic Surfaces: General Trends

(2012) José L. C. Fajín et al.   Journal of Physical Chemistry C

Methanol steam reforming over Cu/CeO2 catalysts: influence of zinc addition

(2012) Franco Tonelli et al.   QUIMICA NOVA

The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts

(2012) M. Behrens et al.   SCIENCE

Dissociation of methanol on hydroxylated TiO2-B (100) surface: Insights from first principle DFT calculation

(2011) Weijia Liu et al.   CATALYSIS TODAY

Subsurface-Controlled CO2Selectivity of PdZn Near-Surface Alloys in H2Generation by Methanol Steam Reforming

(2010) Christoph Rameshan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Catalysts for methanol steam reforming—A review

(2010) Sandra Sá et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Descriptors controlling the catalytic activity of metallic surfaces toward water splitting

(2010) José L.C. Fajín et al.   JOURNAL OF CATALYSIS

Adaptive kinetic Monte Carlo simulation of methanol decomposition on Cu(100)

(2010) Lijun Xu et al.   JOURNAL OF CHEMICAL PHYSICS

Palladium-Based Electrocatalysts for Alcohol Oxidation in Half Cells and in Direct Alcohol Fuel Cells

(2009) Claudio Bianchini et al.   CHEMICAL REVIEWS

Catalytic Partial Oxidation of Methanol and Ethanol for Hydrogen Generation

(2009) Keith L. Hohn et al.   ChemSusChem

Effect of the exchange-correlation potential and of surface relaxation on the description of the H2O dissociation on Cu(111)

(2009) José L. C. Fajín et al.   JOURNAL OF CHEMICAL PHYSICS

A periodic density functional theory study of the dehydrogenation of methanol over CuCl(111) surface

(2008) Xia Wang et al.   APPLIED SURFACE SCIENCE

A Comparative Study of Partial Oxidation of Methanol over Zinc Oxide Supported Metallic Catalysts

(2008) Wang Jianxin et al.   CATALYSIS LETTERS

An overview of hydrogen production technologies

(2008) J.D. Holladay et al.   CATALYSIS TODAY

Production of hydrogen via partial oxidation of methanol over bimetallic Au–Cu/TiO2 catalysts

(2008) Ti-Cheng Ou et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

DFT study of methanol adsorption and dissociation on β-Mo2C(001)

(2008) C. Pistonesi et al.   SURFACE SCIENCE

Hydrogen production by partial oxidation of methanol over bimetallic Au–Ru/Fe2O3 catalysts

(2007) Feg-Wen Chang et al.   APPLIED CATALYSIS A-GENERAL