Highly active Au/δ-MoC and Au/β-Mo2C catalysts for the low-temperature water gas shift reaction: effects of the carbide metal/carbon ratio on the catalyst performance

Adsorption and dissociation of molecular hydrogen on orthorhombic β-Mo 2 C and cubic δ-MoC (001) surfaces

(2017) Sergio Posada-Pérez et al.   SURFACE SCIENCE

Catalytic reduction of CO2 by H2 for synthesis of CO, methanol and hydrocarbons: challenges and opportunities

(2016) Marc D. Porosoff et al.   Energy & Environmental Science

Kinetic Monte Carlo simulations of the water gas shift reaction on Cu(1 1 1) from density functional theory based calculations

(2016) Hèctor Prats et al.   JOURNAL OF CATALYSIS

Highly Active Au/δ-MoC and Cu/δ-MoC Catalysts for the Conversion of CO2: The Metal/C Ratio as a Key Factor Defining Activity, Selectivity, and Stability

(2016) Sergio Posada-Pérez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

The conversion of CO2 to methanol on orthorhombic β-Mo2C and Cu/β-Mo2C catalysts: mechanism for admetal induced change in the selectivity and activity

(2016) Sergio Posada-Pérez et al.   Catalysis Science & Technology

Water–gas shift catalysis over transition metals supported on molybdenum carbide

(2015) Kaiwalya D. Sabnis et al.   JOURNAL OF CATALYSIS

Structure and electronic properties of Cu nanoclusters supported on Mo2C(001) and MoC(001) surfaces

(2015) Sergio Posada-Pérez et al.   JOURNAL OF CHEMICAL PHYSICS

Charge Polarization at a Au-TiC Interface and the Generation of Highly Active and Selective Catalysts for the Low-Temperature Water-Gas Shift Reaction

(2014) José A. Rodriguez et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The bending machine: CO2 activation and hydrogenation on δ-MoC(001) and β-Mo2C(001) surfaces

(2014) Sergio Posada-Pérez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Fundamentals of Methanol Synthesis on Metal Carbide Based Catalysts: Activation of CO2 and H2

(2014) Sergio Posada-Pérez et al.   TOPICS IN CATALYSIS

Gold Atoms Stabilized on Various Supports Catalyze the Water–Gas Shift Reaction

(2013) Maria Flytzani-Stephanopoulos   ACCOUNTS OF CHEMICAL RESEARCH

Methane as raw material in synthetic chemistry: the final frontier

(2013) Ana Caballero et al.   CHEMICAL SOCIETY REVIEWS

Atomically Dispersed Au–(OH)x Species Bound on Titania Catalyze the Low-Temperature Water-Gas Shift Reaction

(2013) Ming Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Atomic and electronic structure of molybdenum carbide phases: bulk and low Miller-index surfaces

(2013) José Roberto dos Santos Politi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanistic Studies of Water–Gas-Shift Reaction on Transition Metals

(2011) Chia-Hao Lin et al.   Journal of Physical Chemistry C

High Activity Carbide Supported Catalysts for Water Gas Shift

(2011) Neil M. Schweitzer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Activation of noble metals on metal-carbide surfaces: novel catalysts for CO oxidation, desulfurization and hydrogenation reactions

(2011) José A. Rodriguez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanism of Methanol Synthesis on Cu through CO2and CO Hydrogenation

(2011) L. C. Grabow et al.   ACS Catalysis

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

Dissociation of SO2on Au/TiC(001): Effects of Au-C Interactions and Charge Polarization

(2008) José A. Rodriguez et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

An overview of hydrogen production technologies

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

Catalyst size matters: Tuning the molecular mechanism of the water–gas shift reaction on titanium carbide based compounds

(2008) Francesc Viñes et al.   JOURNAL OF CATALYSIS

Mechanism of the Water Gas Shift Reaction on Pt:  First Principles, Experiments, and Microkinetic Modeling

(2008) Lars C. Grabow et al.   Journal of Physical Chemistry C

On the Mechanism of Low-Temperature Water Gas Shift Reaction on Copper

(2008) Amit A. Gokhale et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY