Discrimination of the mechanism of CH4 formation in Fischer–Tropsch synthesis on Co catalysts: a combined approach of DFT, kinetic isotope effects and kinetic analysis

Fischer–Tropsch Synthesis: Impact of H2 or CO Activation on Methane Selectivity

(2013) Jia Yang et al.   CATALYSIS LETTERS

Structure sensitivity of CO methanation on Co (0001), and surfaces: Density functional theory calculations

(2013) Jin-Xun Liu et al.   CATALYSIS TODAY

Fischer–Tropsch synthesis: Activity of metallic phases of cobalt supported on silica

(2013) Muthu Kumaran Gnanamani et al.   CATALYSIS TODAY

How does activation affect the cobalt crystallographic structure? An in situ XRD and magnetic study

(2013) L. Braconnier et al.   CATALYSIS TODAY

Reaction mechanism of CO activation and methane formation on Co Fischer–Tropsch catalyst: A combined DFT, transient, and steady-state kinetic modeling

(2013) Jia Yang et al.   JOURNAL OF CATALYSIS

Size-Dependent Dissociation of Carbon Monoxide on Cobalt Nanoparticles

(2013) Anders Tuxen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cobalt Catalyzed Fischer–Tropsch Synthesis: Perspectives Opened by First Principles Calculations

(2012) Manuel Corral Valero et al.   CATALYSIS LETTERS

A Density Functional Theory Study on the Effect of Zero-Point Energy Corrections on the Methanation Profile on Fe(100)

(2012) Ashriti Govender  et al.   CHEMPHYSCHEM

Effect of the CO coverage on the Fischer–Tropsch synthesis mechanism on cobalt catalysts

(2012) Mingkun Zhuo et al.   JOURNAL OF CATALYSIS

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

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

Surface Science Studies on Cobalt Fischer-Tropsch Catalysts

(2010) Zhou-jun Wang et al.   ChemCatChem

Fischer–Tropsch synthesis: Support and cobalt cluster size effects on kinetics over Co/Al2O3 and Co/SiO2 catalysts

(2010) Wenping Ma et al.   FUEL

CO activation pathways and the mechanism of Fischer–Tropsch synthesis

(2010) Manuel Ojeda et al.   JOURNAL OF CATALYSIS

Structure and catalytic performance of Pt-promoted alumina-supported cobalt catalysts under realistic conditions of Fischer–Tropsch synthesis

(2010) Héline Karaca et al.   JOURNAL OF CATALYSIS

Kinetically Relevant Steps and H2/D2 Isotope Effects in Fischer−Tropsch Synthesis on Fe and Co Catalysts

(2010) Manuel Ojeda et al.   Journal of Physical Chemistry C

Understanding the Effect of Cobalt Particle Size on Fischer−Tropsch Synthesis: Surface Species and Mechanistic Studies by SSITKA and Kinetic Isotope Effect†

(2010) Jia Yang et al.   LANGMUIR

Hydrogen induced CO activation on open Ru and Co surfaces

(2010) Sharan Shetty et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DFT studies of dry reforming of methane on Ni catalyst

(2009) Yi-An Zhu et al.   CATALYSIS TODAY

Density Functional Theory Study of the CO Insertion Mechanism for Fischer−Tropsch Synthesis over Co Catalysts

(2009) Mingkun Zhuo et al.   Journal of Physical Chemistry C

Density Functional Theory Study of Iron and Cobalt Carbides for Fischer−Tropsch Synthesis

(2009) Jun Cheng et al.   Journal of Physical Chemistry C

An Energy Descriptor To Quantify Methane Selectivity in Fischer−Tropsch Synthesis: A Density Functional Theory Study

(2009) Jun Cheng et al.   Journal of Physical Chemistry C

On the Origin of the Cobalt Particle Size Effects in Fischer−Tropsch Catalysis

(2009) J. P. den Breejen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fischer-Tropsch Catalysts for the Biomass-to-Liquid (BTL)-Process

(2008) E. van Steen et al.   CHEMICAL ENGINEERING & TECHNOLOGY

A quantitative determination of reaction mechanisms from density functional theory calculations: Fischer–Tropsch synthesis on flat and stepped cobalt surfaces

(2008) J CHENG et al.   JOURNAL OF CATALYSIS

A First-Principles Study of Oxygenates on Co Surfaces in Fischer−Tropsch Synthesis

(2008) Jun Cheng et al.   Journal of Physical Chemistry C

Adsorption and Dissociation of CO as Well as CHxCoupling and Hydrogenation on the Clean and Oxygen Pre-covered Co(0001) Surfaces

(2008) Chun-Fang Huo et al.   Journal of Physical Chemistry C

Formation of CHx Species from CO Dissociation on Double-Stepped Co(0001): Exploring Fischer−Tropsch Mechanism

(2008) Chun-Fang Huo et al.   Journal of Physical Chemistry C

Fischer−Tropsch Mechanism Revisited:  Alternative Pathways for the Production of Higher Hydrocarbons from Synthesis Gas

(2008) Oliver R. Inderwildi et al.   Journal of Physical Chemistry C

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