Cobalt Catalyzed Fischer–Tropsch Synthesis: Perspectives Opened by First Principles Calculations
Published 2012 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Cobalt Catalyzed Fischer–Tropsch Synthesis: Perspectives Opened by First Principles Calculations
Authors
Keywords
Fischer–Tropsch, Ab initio, Density functional theory, Reaction mechanism, Deactivation, Carbonation, Surface reconstruction
Journal
CATALYSIS LETTERS
Volume 143, Issue 1, Pages 1-17
Publisher
Springer Nature
Online
2012-11-08
DOI
10.1007/s10562-012-0930-1
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Inside Cover: Kinetics of the Fischer-Tropsch Reaction (Angew. Chem. Int. Ed. 36/2012)
- (2012) Albert J. Markvoort et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Hydrogen Adsorption on Co Surfaces: A Density Functional Theory and Temperature Programmed Desorption Study
- (2012) Pieter van Helden et al. ACS Catalysis
- The impact of cobalt aluminate formation on the deactivation of cobalt-based Fischer–Tropsch synthesis catalysts
- (2011) D.J. Moodley et al. CATALYSIS TODAY
- Identification of the active species in the working alumina-supported cobalt catalyst under various conditions of Fischer–Tropsch synthesis
- (2011) M. Sadeqzadeh et al. CATALYSIS TODAY
- CO dissociation on Ru and Co surfaces: The initial step in the Fischer–Tropsch synthesis
- (2011) Sharan Shetty et al. CATALYSIS TODAY
- An understanding of chemoselective hydrogenation on crotonaldehyde over Pt(111) in the free energy landscape: The microkinetics study based on first-principles calculations
- (2011) Xiao-Ming Cao et al. CATALYSIS TODAY
- Thermodynamic Stability of Buta-1,3-diene and But-1-ene on Pd(111) and (100) Surfaces under H2 Pressure: A DFT Study
- (2011) Céline Chizallet et al. Journal of Physical Chemistry C
- In SilicoPrediction of Catalytic Oligomerization Degrees
- (2011) Roman Raucoules et al. ORGANOMETALLICS
- Structure sensitivity of the Fischer–Tropsch reaction; molecular kinetics simulations
- (2011) Rutger A. van Santen et al. Catalysis Science & Technology
- Fundamental understanding of deactivation and regeneration of cobalt Fischer–Tropsch synthesis catalysts
- (2010) A.M. Saib et al. CATALYSIS TODAY
- Deactivation of cobalt based Fischer–Tropsch catalysts: A review
- (2010) Nikolaos E. Tsakoumis et al. CATALYSIS TODAY
- Surface of Metallic Catalysts under a Pressure of Hydrocarbon Molecules: Metal or Carbide?
- (2010) Philippe Sautet et al. ChemCatChem
- Carbon deposition on Co catalysts during Fischer–Tropsch synthesis: A computational and experimental study
- (2010) Kong Fei Tan et al. JOURNAL OF CATALYSIS
- CO activation pathways and the mechanism of Fischer–Tropsch synthesis
- (2010) Manuel Ojeda et al. JOURNAL OF CATALYSIS
- DRIFTS/MS Studies during Chemical Transients and SSITKA of the CO/H2 Reaction over Co-MgO Catalysts
- (2010) Julien Schweicher et al. Journal of Physical Chemistry C
- Ab Initio Study of CO Hydrogenation to Oxygenates on Reduced Rh Terraces and Stepped Surfaces
- (2010) Neeti Kapur et al. Journal of Physical Chemistry C
- Ethanol Decomposition on Co(0001): C−O Bond Scission on a Close-Packed Cobalt Surface
- (2010) Cornelis J. Weststrate et al. Journal of Physical Chemistry Letters
- Ab initiodensity-functional calculations in materials science: from quasicrystals over microporous catalysts to spintronics
- (2010) Jürgen Hafner JOURNAL OF PHYSICS-CONDENSED MATTER
- A joint effort with lasting impact
- (2010) Jürgen Hafner NATURE MATERIALS
- Vacancy-mediated diffusion of carbon in cobalt and its influence on CO activation
- (2010) Baihai Li et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Coverage effects on the adsorption of sulfur on Co(0001): A DFT study
- (2010) S.H. Ma et al. SURFACE SCIENCE
- Some Understanding of Fischer–Tropsch Synthesis from Density Functional Theory Calculations
- (2010) Jun Cheng et al. TOPICS IN CATALYSIS
- Further support for the two-mechanisms hypothesis of Fischer–Tropsch synthesis
- (2009) J. Gaube et al. APPLIED CATALYSIS A-GENERAL
- Fischer–Tropsch catalysis: The basis for an emerging industry with origins in the early 20th Century
- (2009) John L. Casci et al. CATALYSIS TODAY
- In situXRD investigation of the evolution of alumina-supported cobaltcatalysts under realistic conditions of Fischer-Tropsch synthesis
- (2009) Héline Karaca et al. CHEMICAL COMMUNICATIONS
- 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
- Chemical Transient Kinetics Applied to CO Hydrogenation over a Pure Nickel Catalyst
- (2009) Adam Bundhoo et al. Journal of Physical Chemistry C
- Direct versus Hydrogen-Assisted CO Dissociation
- (2009) Sharan Shetty et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A DFT study of the transition metal promotion effect on ethylene chemisorption on Co(0001)
- (2009) Jun Cheng et al. SURFACE SCIENCE
- The promoter effect of alkali in Fischer-Tropsch iron and cobalt catalysts
- (2008) J. Gaube et al. APPLIED CATALYSIS A-GENERAL
- Carbon deposition as a deactivation mechanism of cobalt-based Fischer–Tropsch synthesis catalysts under realistic conditions
- (2008) D.J. Moodley et al. APPLIED CATALYSIS A-GENERAL
- Fischer-Tropsch Catalysts for the Biomass-to-Liquid (BTL)-Process
- (2008) E. van Steen et al. CHEMICAL ENGINEERING & TECHNOLOGY
- A density functional theory study of the α-olefin selectivity in Fischer–Tropsch synthesis
- (2008) Jun Cheng et al. JOURNAL OF CATALYSIS
- A DFT study of the chain growth probability in Fischer–Tropsch synthesis
- (2008) J CHENG et al. JOURNAL OF CATALYSIS
- Structure sensitivity of the methanation reaction: H2-induced CO dissociation on nickel surfaces
- (2008) M.P. Andersson et al. JOURNAL OF CATALYSIS
- 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
- Chain Growth Mechanism in Fischer−Tropsch Synthesis: A DFT Study of C−C Coupling over Ru, Fe, Rh, and Re Surfaces
- (2008) Jun Cheng 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
- Intermediates in the Formation of Graphitic Carbon on a Flat FCC-Co(111) Surface
- (2008) Jurie C. W. Swart et al. Journal of Physical Chemistry C
- Utilization of the Three-Dimensional Volcano Surface To Understand the Chemistry of Multiphase Systems in Heterogeneous Catalysis
- (2008) Jun Cheng et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Microstructure of Supported Cobalt Fischer-Tropsch Catalysts
- (2008) O. Ducreux et al. Oil & Gas Science and Technology-Revue d IFP Energies nouvelles
- Interaction of graphene with FCC–Co(111)
- (2008) J. C. W. Swart et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Studies on the reaction mechanism of the Fischer–Tropsch synthesis on iron and cobalt
- (2007) J. Gaube et al. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
- Adsorbate induced reconstruction of cobalt surfaces
- (2007) I.M. Ciobîcă et al. SURFACE SCIENCE
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreDiscover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversation