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CO activation and methanation mechanism on hexagonal close-packed Co catalysts: effect of functionals, carbon deposition and surface structure
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Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.
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The 58 checked references that resolve
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Structure sensitivity of the methanation reaction: H2-induced CO dissociation on nickel surfaces
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Selective methanation of CO in hydrogen-rich gases involving large amounts of CO2 over Ru-modified Ni-Al mixed oxide catalysts
resolves10.1021/jp108106t
Reaction Intermediates and Side Products in the Methanation of CO and CO<sub>2</sub> over Supported Ru Catalysts in H<sub>2</sub>-Rich Reformate Gases
resolves10.1016/j.jcat.2010.04.012
CO activation pathways and the mechanism of Fischer–Tropsch synthesis
resolves10.1021/jp1073076
Kinetically Relevant Steps and H<sub>2</sub>/D<sub>2</sub>Isotope Effects in Fischer−Tropsch Synthesis on Fe and Co Catalysts
resolves10.1016/j.jcat.2013.05.018
Reaction mechanism of CO activation and methane formation on Co Fischer–Tropsch catalyst: A combined DFT, transient, and steady-state kinetic modeling
resolves10.1039/C4CY00566J
Discrimination of the mechanism of CH
<sub>4</sub>
formation in Fischer–Tropsch synthesis on Co catalysts: a combined approach of DFT, kinetic isotope effects and kinetic analysis
resolves10.1021/ja311848e
CO Chemisorption and Dissociation at High Coverages during CO Hydrogenation on Ru Catalysts
resolves10.1016/0039-6028(91)90091-6
Structure sensitivity of the Fischer-Tropsch reaction on cobalt single crystals
resolves10.1016/0039-6028(82)90319-3
Catalytic methanation over single crystal nickel and ruthenium: Reaction kinetics on different crystal planes and the correlation of surface carbide concentration with reaction rate
resolves10.1016/S1872-2067(19)63289-4
Effect of decomposition of catalyst precursor on Ni/CeO2 activity for CO methanation
resolves10.1016/j.cattod.2013.04.024
Structure sensitivity of CO methanation on Co (0001), and surfaces: Density functional theory calculations
resolves10.1021/ja408521w
Crystallographic Dependence of CO Activation on Cobalt Catalysts: HCP versus FCC
resolves10.1039/C7CY00706J
First-principles study of structure sensitivity of chain growth and selectivity in Fischer–Tropsch synthesis using HCP cobalt catalysts
resolves10.1021/acs.jpcc.6b08742
CO Dissociation on Face-Centered Cubic and Hexagonal Close-Packed Nickel Catalysts: A First-Principles Study
resolves10.1021/jp710674q
Fischer−Tropsch Mechanism Revisited: Alternative Pathways for the Production of Higher Hydrocarbons from Synthesis Gas
resolves10.1021/jp900281h
Density Functional Theory Study of the CO Insertion Mechanism for Fischer−Tropsch Synthesis over Co Catalysts
resolves10.1021/jp802242t
A First-Principles Study of Oxygenates on Co Surfaces in Fischer−Tropsch Synthesis
resolves10.1002/anie.201100735
Carbon Chain Growth by Formyl Insertion on Rhodium and Cobalt Catalysts in Syngas Conversion
resolves10.1002/cctc.201301114
A First‐Principles Study of Carbon–Oxygen Bond Scission in Multiatomic Molecules on Flat and Stepped Metal Surfaces
resolves10.1016/j.molcata.2011.06.009
Chain growth mechanism of Fischer–Tropsch synthesis on Fe5C2(001)
resolves10.1002/cphc.201100909
Gas‐Phase Thermodynamics as a Validation of Computational Catalysis on Surfaces: A Case Study of Fischer–Tropsch Synthesis
resolves10.1103/PhysRevB.46.6671
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
resolves10.1103/PhysRevB.50.4954
Implementation of gradient-corrected exchange-correlation potentials in Car-Parrinello total-energy calculations
resolves10.1063/1674-0068/cjcp1902035
Ethylene adsorption on Ag(111), Rh(111) and Ir(111) by (meta)-GGA based density functional theory calculations
resolves10.1016/S0167-2991(98)80419-9
In Situ Characterisation of Cobalt Based Fischer-Tropsch Catalysts : A New Approach to the Active Phase
resolves10.1016/j.apcata.2008.11.015
Carbon deposition as a deactivation mechanism of cobalt-based Fischer–Tropsch synthesis catalysts under realistic conditions
resolves10.1021/jp960045f
Polarization Modulation Infrared Reflection Absorption Spectroscopy of CO Adsorption on Co(0001) under a High-Pressure Regime
resolves10.1103/PhysRevLett.115.036402
Strongly Constrained and Appropriately Normed Semilocal Density Functional
resolves10.1103/PhysRevB.85.235149
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
resolves10.1006/jcat.1998.2175
A Theoretical Study of Carbon Chemisorption on Ni(111) and Co(0001) Surfaces
resolves10.1016/j.jcat.2010.06.008
Carbon deposition on Co catalysts during Fischer–Tropsch synthesis: A computational and experimental study
resolves10.1103/PhysRevB.54.11169
Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set
resolves10.1063/1.1323224
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
resolves10.1063/1674-0068/31/cjcp1803038
First-Principles microkinetic study of methanol synthesis on Cu(221) and ZnCu(221) surfaces
resolves10.1021/ja901006x
On the Origin of the Cobalt Particle Size Effects in Fischer−Tropsch Catalysis
resolves10.1021/ja9000097
Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates
resolves10.1021/jp4099254
A Study on the Mechanism for H<sub>2</sub> Dissociation on Au/TiO<sub>2</sub> Catalysts
resolves10.1016/0039-6028(83)90103-6
The chemisorption of carbon monoxide on a Co(0001) single crystal surface; studied by LEED, UPS, EELS, AES and work function measurements
resolves10.1016/j.jcat.2013.08.002
On the effect of coverage-dependent adsorbate–adsorbate interactions for CO methanation on transition metal surfaces
resolves10.1021/acscatal.9b01150
Quantitative Determination of C–C Coupling Mechanisms and Detailed Analyses on the Activity and Selectivity for Fischer–Tropsch Synthesis on Co(0001): Microkinetic Modeling with Coverage Effects
resolves10.1021/acscatal.8b00943
Beyond Mean-Field Microkinetics: Toward Accurate and Efficient Theoretical Modeling in Heterogeneous Catalysis
resolves10.1021/acscatal.9b01967
Coverage Effects in CO Dissociation on Metallic Cobalt Nanoparticles
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