A Review of Theoretical Studies on Carbon Monoxide Hydrogenation via Fischer–Tropsch Synthesis over Transition Metals

The Fischer-Tropsch process: 1950-2000

Dry, M. E. (2002) · Catalysis Today · doi:10.1016/s0920-5861(01)00453-9 · Cited by 2,061 · see citing works

Short history and present trends of Fischer–Tropsch synthesis

Schulz, H. (1999) · Applied Catalysis A General · doi:10.1016/s0926-860x(99)00160-x · Cited by 1,402 · see citing works

CO activation pathways and the mechanism of Fischer–Tropsch synthesis

Ojeda, M., Nabar, R. P., Nilekar, A. U., Ishikawa, A., Mavrikakis, M., & Enrique Iglesia, A. (2010) · Journal of Catalysis · doi:10.1016/j.jcat.2010.04.012 · Cited by 579 · see citing works

Crystallographic Dependence of CO Activation on Cobalt Catalysts: HCP versus FCC

Liu, J., Su, H., Sun, D., et al. (2013) · Journal of the American Chemical Society · doi:10.1021/ja408521w · Cited by 442 · see citing works

Neuere Erkenntnisse auf dem Gebiet der Synthese von Kohlenwasserstoffen aus CO und H2

Pichler, H., & Schulz, H. (1970) · Chemie Ingenieur Technik · doi:10.1002/cite.330421808 · Cited by 357 · see citing works

Molecular Views on Fischer–Tropsch Synthesis

Rommens, K. T., & Saeys, M. (2023) · Chemical Reviews · doi:10.1021/acs.chemrev.2c00508 · Cited by 330 · see citing works

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

Inderwildi, O. R., Jenkins, S. J., & King, D. A. (2008) · The Journal of Physical Chemistry C · doi:10.1021/jp710674q · Cited by 278 · see citing works

CO Chemisorption and Dissociation at High Coverages during CO Hydrogenation on Ru Catalysts

Loveless, B. T., Buda, C., Neurock, M., et al. (2013) · Journal of the American Chemical Society · doi:10.1021/ja311848e · Cited by 269 · see citing works

CO hydrogenation to methanol on Cu–Ni catalysts: Theory and experiment

Studt, F., Abild‐Pedersen, F., Wu, Q., Jensen, A. D., Temel, B., Grunwaldt, J., & Nørskov, J. K. (2012) · Journal of Catalysis · doi:10.1016/j.jcat.2012.06.004 · Cited by 230 · see citing works

Insight into the Formation of Co@Co2C Catalysts for Direct Synthesis of Higher Alcohols and Olefins from Syngas

Zhao, Z., Lu, W. M., Yang, R., Zhu, H., Dong, W., Sun, F., Jiang, Z., Lyu, Y., Liu, T., Du, H., et al. (2017) · ACS Catalysis · doi:10.1021/acscatal.7b02403 · Cited by 206 · see citing works

Recycling of CO2: Probing the Chemical State of the Ni(111) Surface during the Methanation Reaction with Ambient-Pressure X-Ray Photoelectron Spectroscopy

Heine, C., Lechner, B. A. J., Bluhm, H., et al. (2016) · Journal of the American Chemical Society · doi:10.1021/jacs.6b06939 · Cited by 200 · see citing works

Ethanol synthesis from syngas over Rh-based/SiO2 catalysts: A combined experimental and theoretical modeling study

Mei, D., Rousseau, R. J., Kathmann, S. M., et al. (2010) · Journal of Catalysis · doi:10.1016/j.jcat.2010.02.020 · Cited by 196 · see citing works

Long-Chain Terminal Alcohols through Catalytic CO Hydrogenation

Xiang, Y., Chitry, V., Liddicoat, P. V., et al. (2013) · Journal of the American Chemical Society · doi:10.1021/ja402512r · Cited by 195 · see citing works

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

Cheng, J. J., Hu, P., Ellis, P. R., French, S., Kelly, G. J., & Lok, C. M. (2009) · The Journal of Physical Chemistry C · doi:10.1021/jp908482q · Cited by 183 · see citing works

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

Cheng, J. J., Gong, X., Hu, P., et al. (2008) · Journal of Catalysis · doi:10.1016/j.jcat.2008.01.009 · Cited by 181 · see citing works

An Investigation into the Effects of Mn Promotion on the Activity and Selectivity of Co/SiO2 for Fischer–Tropsch Synthesis: Evidence for Enhanced CO Adsorption and Dissociation

Johnson, G. R., Werner, S., & Bell, A. T. (2015) · ACS Catalysis · doi:10.1021/acscatal.5b01578 · Cited by 179 · see citing works

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

Zhuo, M., Tan, K. F., Borgna, A., et al. (2009) · The Journal of Physical Chemistry C · doi:10.1021/jp900281h · Cited by 176 · see citing works

First-Principles-Based Microkinetics Simulations of Synthesis Gas Conversion on a Stepped Rhodium Surface

Filot, I. A. W., Broos, R. J. P., van Rijn, J. P. M., et al. (2015) · ACS Catalysis · doi:10.1021/acscatal.5b01391 · Cited by 175 · see citing works

Adsorption and Activation of CO over Flat and Stepped Co Surfaces: A First Principles Analysis

Ge, Q., & Neurock, M. (2006) · The Journal of Physical Chemistry B · doi:10.1021/jp060477i · Cited by 165 · see citing works

Consequences of Surface Oxophilicity of Ni, Ni-Co, and Co Clusters on Methane Activation

Tu, W., Ghoussoub, M., Singh, C. V., et al. (2017) · Journal of the American Chemical Society · doi:10.1021/jacs.7b01632 · Cited by 157 · see citing works

Hydrogenation of carbon monoxide over SiO2-supported Fe-Co, Co-Ni and Ni-Fe bimetallic catalysts

Ishihara, T., Eguchi, K., & Arai, H. (1987) · Applied Catalysis · doi:10.1016/s0166-9834(00)84115-9 · Cited by 151 · see citing works

Deactivation and Regeneration of Commercial Type Fischer-Tropsch Co-Catalysts—A Mini-Review

Rytter, E., & Holmen, A. (2015) · Catalysts · doi:10.3390/catal5020478 · Cited by 146 · see citing works

Nickel and Fischer-Tropsch Synthesis

Enger, B. C., & Holmen, A. (2012) · Catalysis Reviews · doi:10.1080/01614940.2012.670088 · Cited by 143 · see citing works

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

Yang, J., Qi, Y., Zhu, J., et al. (2013) · Journal of Catalysis · doi:10.1016/j.jcat.2013.05.018 · Cited by 134 · see citing works

Reverse Water–Gas Shift or Sabatier Methanation on Ni(110)? Stable Surface Species at Near-Ambient Pressure

Roiaz, M., Monachino, E., Dri, C., et al. (2016) · Journal of the American Chemical Society · doi:10.1021/jacs.5b13366 · Cited by 134 · see citing works

Particle Size and Crystal Phase Effects in Fischer-Tropsch Catalysts

Liu, J., Wang, P., Xu, W. Q., et al. (2017) · Engineering · doi:10.1016/j.eng.2017.04.012 · Cited by 132 · see citing works

Hydrogen Adsorption on Co Surfaces: A Density Functional Theory and Temperature Programmed Desorption Study

van Helden, P., van den Berg, J.-A., & Weststrate, C. J. (2012) · ACS Catalysis · doi:10.1021/cs2006586 · Cited by 131 · see citing works

Chain Growth Mechanism in Fischer−Tropsch Synthesis: A DFT Study of C−C Coupling over Ru, Fe, Rh, and Re Surfaces

Cheng, J. J., Hu, P., Ellis, P. R., French, S., Kelly, G. J., & Lok, C. M. (2008) · The Journal of Physical Chemistry C · doi:10.1021/jp711051e · Cited by 128 · see citing works

Methanol Synthesis from CO2, CO, and H2over Cu(100) and Ni/Cu(100)

Nerlov, J., & Chorkendorff, I. (1999) · Journal of Catalysis · doi:10.1006/jcat.1998.2301 · Cited by 125 · see citing works

CO dissociation and O removal on Co(0001): a density functional theory study

Gong, X., Raval, R., & Hu, P. (2004) · Surface Science · doi:10.1016/j.susc.2004.06.151 · Cited by 124 · see citing works

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

Yao, Z., Guo, C., Mao, Y., & Hu, P. (2019) · ACS Catalysis · doi:10.1021/acscatal.9b01150 · Cited by 119 · see citing works

Carbon deposition on Co catalysts during Fischer–Tropsch synthesis: A computational and experimental study

Tan, K. F., Xu, J., Chang, J. Y., et al. (2010) · Journal of Catalysis · doi:10.1016/j.jcat.2010.06.008 · Cited by 118 · see citing works

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

Zhuo, M., Borgna, A., & Saeys, M. (2012) · Journal of Catalysis · doi:10.1016/j.jcat.2012.10.008 · Cited by 112 · see citing works

DFT Study of Formaldehyde and Methanol Synthesis from CO and H2 on Ni(111)

Remediakis, I. N., Abild‐Pedersen, F., & Nørskov, J. K. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp0493374 · Cited by 110 · see citing works

Elucidating the Copper–Hägg Iron Carbide Synergistic Interactions for Selective CO Hydrogenation to Higher Alcohols

Lu, Y., Zhang, R., Cao, B., et al. (2017) · ACS Catalysis · doi:10.1021/acscatal.7b01469 · Cited by 109 · see citing works

Kinetic insights into the effect of promoters on Co/Al2O3 for Fischer-Tropsch synthesis

Yang, X., Yang, J., Zhao, T., et al. (2022) · Chemical Engineering Journal · doi:10.1016/j.cej.2022.136655 · Cited by 106 · see citing works

The effect of sodium on the structure–activity relationships of cobalt-modified Cu/ZnO/Al2O3 catalysts applied in the hydrogenation of carbon monoxide to higher alcohols

Anton, J., Nebel, J., Song, H., et al. (2016) · Journal of Catalysis · doi:10.1016/j.jcat.2015.12.016 · Cited by 101 · see citing works

CH x hydrogenation on Co(0001): A density functional theory study

Gong, X., Raval, R., & Hu, P. (2004) · The Journal of Chemical Physics · doi:10.1063/1.1829257 · Cited by 100 · see citing works

A DFT study of the chain growth probability in Fischer–Tropsch synthesis

Cheng, J. J., Hu, P., Ellis, P. R., et al. (2008) · Journal of Catalysis · doi:10.1016/j.jcat.2008.05.006 · Cited by 100 · see citing works

Revisiting CO Activation on Co Catalysts: Impact of Step and Kink Sites from DFT

Petersen, M. A., van den Berg, J.-A., Ciobîcă, I. M., et al. (2017) · ACS Catalysis · doi:10.1021/acscatal.6b02843 · Cited by 90 · see citing works

Hydrogenation mechanism of carbon dioxide and carbon monoxide on Ru(0001) surface: a density functional theory study

Zhang, S., Yan, H. J., Wei, M., et al. (2014) · RSC Advances · doi:10.1039/c4ra01655f · Cited by 88 · see citing works

The Vital Role of Step-Edge Sites for Both CO Activation and Chain Growth on Cobalt Fischer–Tropsch Catalysts Revealed through First-Principles-Based Microkinetic Modeling Including Lateral Interactions

Zijlstra, B., Broos, R. J. P., Chen, W., Bezemer, G. L., Filot, I. A. W., & Hensen, E. J. M. (2020) · ACS Catalysis · doi:10.1021/acscatal.0c02420 · Cited by 86 · see citing works

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

Cheng, J. J., Hu, P., Ellis, P. R., French, S., Kelly, G. J., & Lok, C. M. (2008) · The Journal of Physical Chemistry C · doi:10.1021/jp802242t · Cited by 82 · see citing works

Mn promoted Co catalysts for Fischer-Tropsch production of light olefins – An experimental and theoretical study

Pedersen, E. Ø., Svenum, I.-H., & Blekkan, E. A. (2018) · Journal of Catalysis · doi:10.1016/j.jcat.2018.02.011 · Cited by 82 · see citing works

DRIFTS/MS Studies during Chemical Transients and SSITKA of the CO/H2 Reaction over Co-MgO Catalysts

Schweicher, J., Bundhoo, A., Frennet, A., et al. (2010) · The Journal of Physical Chemistry C · doi:10.1021/jp909754w · Cited by 81 · see citing works

In Situ Characterisation of Cobalt Based Fischer-Tropsch Catalysts : A New Approach to the Active Phase

Ducreux, O., Lynch, J. P., Rebours, B., et al. (1998) · Studies in surface science and catalysis · doi:10.1016/s0167-2991(98)80419-9 · Cited by 80 · see citing works

A density functional theory study of the α-olefin selectivity in Fischer–Tropsch synthesis

Cheng, J. J., Song, T., Hu, P., Lok, C. M., Ellis, P. R., & French, S. (2008) · Journal of Catalysis · doi:10.1016/j.jcat.2008.01.027 · Cited by 80 · see citing works

In situ monitoring during the transition of cobalt carbide to metal state and its application as Fischer–Tropsch catalyst in slurry phase

Kwak, G., Woo, M. H., Kang, S. C., Park, H., Lee, Y.-J., Jun, K., & Ha, K. (2013) · Journal of Catalysis · doi:10.1016/j.jcat.2013.06.029 · Cited by 80 · see citing works

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

Huo, C., Li, Y., Wang, J., & Jiao, H. (2008) · The Journal of Physical Chemistry C · doi:10.1021/jp803976g · Cited by 79 · see citing works

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

Liu, J., Su, H., & Li, W. (2013) · Catalysis Today · doi:10.1016/j.cattod.2013.04.024 · Cited by 77 · see citing works

Generalized kinetic model for iron and cobalt based Fischer–Tropsch synthesis catalysts: Review and model evaluation

Mousavi, S., Zamaniyan, A., Irani, M., et al. (2015) · Applied Catalysis A General · doi:10.1016/j.apcata.2015.08.020 · Cited by 74 · see citing works

Fischer–Tropsch principles of co-hydrogenation on iron catalysts

Schulz, H., Riedel, T., & Schaub, G. (2005) · Topics in Catalysis · doi:10.1007/s11244-005-2883-8 · Cited by 72 · see citing works

Recent Progresses in Understanding of Co-Based Fischer–Tropsch Catalysis by Means of Transient Kinetic Studies and Theoretical Analysis

Qi, Y., Yang, J., Chen, D., et al. (2014) · Catalysis Letters · doi:10.1007/s10562-014-1419-x · Cited by 67 · see citing works

Hydrogen-assisted CO dissociation on the Co(211) stepped surface

van Helden, P., van den Berg, J.-A., & Ciobîcă, I. M. (2012) · Catalysis Science & Technology · doi:10.1039/c2cy00396a · Cited by 66 · see citing works

Cobalt Carbide Identified as Catalytic Site for the Dehydrogenation of Ethanol to Acetaldehyde

Rodriguez‐Gomez, A., Holgado, J. P., & Caballero, A. (2017) · ACS Catalysis · doi:10.1021/acscatal.7b01348 · Cited by 62 · see citing works

Theoretical study of methanol synthesis from CO2 and CO hydrogenation on the surface of ZrO2 supported In2O3 catalyst

Dou, M., Zhang, M., Chen, Y., et al. (2018) · Surface Science · doi:10.1016/j.susc.2018.02.013 · Cited by 62 · see citing works

Quantitative comparison of iron and cobalt based catalysts for the Fischer-Tropsch synthesis under clean and poisoning conditions

Ma, W., Jacobs, G., Sparks, D. E., Todić, B., Bukur, D. B., & Davis, B. H. (2019) · Catalysis Today · doi:10.1016/j.cattod.2019.04.011 · Cited by 62 · see citing works

Carbon Monoxide Activation on Cobalt Carbide for Fischer–Tropsch Synthesis from First-Principles Theory

Chen, P., Liu, J., & Li, W. (2019) · ACS Catalysis · doi:10.1021/acscatal.9b00649 · Cited by 62 · see citing works

Cobalt Fischer−Tropsch Catalysts Using Nickel Promoter as a Rhenium Substitute to Suppress Deactivation

Rytter, E., Skagseth, T. H., Eri, S., & Sjåstad, A. O. (2010) · Industrial & Engineering Chemistry Research · doi:10.1021/ie100308f · Cited by 58 · see citing works

Direct versus Hydrogen‐Assisted CO Dissociation on the Fe (100) Surface: a DFT Study

Elahifard, M. R., Jigato, M. P., & Niemantsverdriet, J. W. (2011) · ChemPhysChem · doi:10.1002/cphc.201100759 · Cited by 58 · see citing works

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

Valero, M. C., & Raybaud, P. (2012) · Catalysis Letters · doi:10.1007/s10562-012-0930-1 · Cited by 56 · see citing works

Mechanistic Insight into the C2 Hydrocarbons Formation from Syngas on fcc-Co(111) Surface: A DFT Study

Chen, C., Wang, Q., Wang, G., Hou, B., Jia, L., & Li, D. (2016) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5b09634 · Cited by 55 · see citing works

Formation of metal-support compounds in cobalt-based Fischer-Tropsch synthesis: A review

Wolf, M., Fischer, N., & Claeys, M. (2021) · Chem Catalysis · doi:10.1016/j.checat.2021.08.002 · Cited by 55 · see citing works

Discrimination of the mechanism of CH 4 formation in Fischer–Tropsch synthesis on Co catalysts: a combined approach of DFT, kinetic isotope effects and kinetic analysis

Qi, Y., Yang, J., Duan, X., et al. (2014) · Catalysis Science & Technology · doi:10.1039/c4cy00566j · Cited by 54 · see citing works

Fischer–Tropsch synthesis, the effect of promoters, catalyst support, and reaction conditions selection

Horáček, J. (2020) · Monatshefte für Chemie - Chemical Monthly · doi:10.1007/s00706-020-02590-w · Cited by 53 · see citing works

Hydrogenation of CO on molybdenum and cobalt molybdenum carbides

Tominaga, H., Aoki, Y., & Nagai, M. (2012) · Applied Catalysis A General · doi:10.1016/j.apcata.2012.02.041 · Cited by 52 · see citing works

Quantum chemistry of the Fischer–Tropsch reaction catalysed by a stepped ruthenium surface

Filot, I. A. W., van Santen, R. A., & Hensen, E. J. M. (2014) · Catalysis Science & Technology · doi:10.1039/c4cy00483c · Cited by 52 · see citing works

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

Fajín, J. L. C., Gomes, J. R. B., & Cordeiro, M. N. D. S. (2015) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5b01837 · Cited by 52 · see citing works

Influence of intermediate iron reduced species in Fischer-Tropsch synthesis using Fe/C catalysts

Bengoa, J. F., Alvarez, A. M., Cagnoli, M. V., et al. (2007) · Applied Catalysis A General · doi:10.1016/j.apcata.2007.03.012 · Cited by 49 · see citing works

Hydrogen induced CO activation on open Ru and Co surfaces

Shetty, S. G., & van Santen, R. A. (2010) · Physical Chemistry Chemical Physics · doi:10.1039/b926731j · Cited by 49 · see citing works

Influence of carbide formation on oxygenates selectivity during Fischer-Tropsch synthesis over Ce-containing Co catalysts

Gnanamani, M. K., Jacobs, G., Graham, U. M., et al. (2015) · Catalysis Today · doi:10.1016/j.cattod.2015.08.047 · Cited by 48 · see citing works

Computational investigation of the kinetics and mechanism of the initial steps of the Fischer–Tropsch synthesis on cobalt

van Helden, P., van den Berg, J.-A., Petersen, M. A., et al. (2016) · Faraday Discussions · doi:10.1039/c6fd00197a · Cited by 47 · see citing works

High coverage H2 adsorption and dissociation on fcc Co surfaces from DFT and thermodynamics

Yu, M., Liu, L., Wang, Q., et al. (2018) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2018.01.165 · Cited by 47 · see citing works

Hydrogenation of CO to Methanol on Ni(110) through Subsurface Hydrogen

Ashwell, A. P., Lin, W., Hofman, M. S., et al. (2017) · Journal of the American Chemical Society · doi:10.1021/jacs.7b09914 · Cited by 46 · see citing works

First-principles based microkinetic modeling of transient kinetics of CO hydrogenation on cobalt catalysts

Zijlstra, B., Broos, R. J. P., Chen, W., Filot, I. A. W., & Hensen, E. J. M. (2019) · Catalysis Today · doi:10.1016/j.cattod.2019.03.002 · Cited by 46 · see citing works

Effect of alloying on CO hydrogenation activity over SiO2-supported Co$z.sbnd;Ni alloy catalysts

Ishihara, T. (1992) · Journal of Catalysis · doi:10.1016/0021-9517(92)90122-x · Cited by 45 · see citing works

Cobalt-nickel bimetallic Fischer-Tropsch catalysts: A combined theoretical and experimental approach

van Helden, P., Prinsloo, F. F., van den Berg, J.-A., Xaba, B. M., Erasmus, W., Claeys, M., & van de Loosdrecht, J. (2019) · Catalysis Today · doi:10.1016/j.cattod.2019.03.001 · Cited by 44 · see citing works

Insight into the preferred formation mechanism of long-chain hydrocarbons in Fischer–Tropsch synthesis on Hcp Co(10−11) surfaces from DFT and microkinetic modeling

Liu, H., Zhang, R., Ling, L., et al. (2017) · Catalysis Science & Technology · doi:10.1039/c7cy01436h · Cited by 43 · see citing works

Dissociative hydrogen adsorption on the cubic cobalt surfaces: A DFT study

Pour, A. N., Keyvanloo, Z., Izadyar, M., et al. (2015) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2015.04.028 · Cited by 41 · see citing works

Adlayer Dynamics Drives CO Activation in Ru-Catalyzed Fischer–Tropsch Synthesis

Foppa, L., Iannuzzi, M., Copéret, C., et al. (2018) · ACS Catalysis · doi:10.1021/acscatal.8b01232 · Cited by 37 · see citing works

Recent Mechanistic Understanding of Fischer-Tropsch Synthesis on Fe-Carbide

Chai, J., Jiang, J. S., Gong, Y., Wu, P. F., Wang, A., Zhang, X., Wang, T., Meng, X., Lin, Q., Lv, Y., et al. (2023) · Catalysts · doi:10.3390/catal13071052 · Cited by 37 · see citing works

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

Huo, C., Li, Y., Wang, J., et al. (2008) · The Journal of Physical Chemistry C · doi:10.1021/jp710566t · Cited by 36 · see citing works

Insight into the mechanism about the initiation, growth and termination of the C–C chain in syngas conversion on the Co(0001) surface: a theoretical study

Wen, G., Wang, Q., Zhang, R., et al. (2016) · Physical Chemistry Chemical Physics · doi:10.1039/c6cp05139a · Cited by 36 · see citing works

First-principles study of structure sensitivity of chain growth and selectivity in Fischer–Tropsch synthesis using HCP cobalt catalysts

Su, H., Zhao, Y., Liu, J., Sun, K., & Li, W. (2017) · Catalysis Science & Technology · doi:10.1039/c7cy00706j · Cited by 36 · see citing works

Stability of Carbon on Cobalt Surfaces in Fischer–Tropsch Reaction Conditions: A DFT Study

Valero, M. C., & Raybaud, P. (2014) · The Journal of Physical Chemistry C · doi:10.1021/jp5004177 · Cited by 34 · see citing works

A Comparative Study of Palladium and Copper Catalysts in Methanol Synthesis

Shen, W., Ichihashi, Y., & Matsumura, Y. (2002) · Catalysis Letters · doi:10.1023/a:1015334914620 · Cited by 33 · see citing works

Effects of postdosed species on preadsorbed carbon monoxide on iron (100): adsorption site conversion caused by site competition

Lu, J. P., Albert, M. R., & Bernasek, S. L. (1990) · The Journal of Physical Chemistry · doi:10.1021/j100378a074 · Cited by 32 · see citing works

Density Functional Theory Study of the Interaction of Carbon Monoxide with Bimetallic Co−Mn Clusters

Du, J., Wu, G., & Wang, J. (2010) · The Journal of Physical Chemistry A · doi:10.1021/jp106321s · Cited by 31 · see citing works

Toward improving CO2 dissociation and conversion to methanol via CO-hydrogenation on Cu(100) surface by introducing embedded Co nanoclusters as promoters: A DFT study

Qiu, M., Tao, H., Li, Y., et al. (2017) · Applied Surface Science · doi:10.1016/j.apsusc.2017.08.107 · Cited by 29 · see citing works

Catalytic Conversion of CO and H2 into Hydrocarbons on the Cobalt Co(111) Surface: Implications for the Fischer–Tropsch Process

Santos‐Carballal, D., Cadi-Essadek, A., & de Leeuw, N. H. (2021) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.1c00254 · Cited by 25 · see citing works

Advances in lower olefin production over cobalt-based catalysts via the Fischer-Tropsch process

Shiba, N. C., Liu, X., & Yao, Y. (2022) · Fuel Processing Technology · doi:10.1016/j.fuproc.2022.107489 · Cited by 25 · see citing works

Classifying and understanding the role of carbon deposits on cobalt catalyst for Fischer-Tropsch synthesis

Lu, W., Wang, J., Ma, Z., et al. (2022) · Fuel · doi:10.1016/j.fuel.2022.126115 · Cited by 25 · see citing works

Supported iron—cobalt—nickel ternary alloy catalysts for the hydrogenation of carbon monoxide

Ishihara, T., Eguchi, K., & Arai, H. (1988) · Applied Catalysis · doi:10.1016/s0166-9834(00)80428-5 · Cited by 24 · see citing works

Unraveling the Fischer–Tropsch mechanism: a combined DFT and microkinetic investigation of C–C bond formation on Ru

Mirwald, J. W., & Inderwildi, O. R. (2012) · Physical Chemistry Chemical Physics · doi:10.1039/c2cp23394k · Cited by 24 · see citing works

Adsorption of CO and formation of carbonates at steps of pure and Co-doped SrTiO3 surfaces by DFT calculations

Carlotto, S., Natile, M. M., Glisenti, A., & Vittadini, A. (2015) · Applied Surface Science · doi:10.1016/j.apsusc.2015.12.194 · Cited by 24 · see citing works

Forty Years With The Fischer-Tropsch Synthesis 1944-1984

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Single-crystal adsorption calorimetry and density functional theory of CO chemisorption on fcc Co{110}

Liao, K., Fiorin, V., Gunn, D. S. D., et al. (2013) · Physical Chemistry Chemical Physics · doi:10.1039/c3cp43836h · Cited by 22 · see citing works

The State of Nickel as Promotor in Cobalt Fischer–Tropsch Synthesis Catalysts

Voss, G. J. B., Fløystad, J. B., Voronov, A., et al. (2015) · Topics in Catalysis · doi:10.1007/s11244-015-0456-z · Cited by 21 · see citing works

Water-gas-shift reaction over nickel catalysts: DFT studies and kinetic modeling

Pour, A. N., & Tayyari, S. F. (2019) · Structural Chemistry · doi:10.1007/s11224-019-01294-0 · Cited by 20 · see citing works

Mechanism insight into MnO for CO activation and O removal processes on Co(0001) surface: A DFT and kMC study

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A DFT Study of Carbon in the Subsurface Layer of Cobalt Surfaces

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