Abstract
In order to aid the development of new hydrodesulphurization (HDS) catalysts, several useful structure-activity relationships have been established for both unpromoted and promoted catalysts [1]. For the unpromoted catalysts, the activity has been attributed to sites at the MoS2 edges, whereas for Co or Ni promoted catalysts, mixed Co-Mo-S and Ni-Mo-S structures at the edges have been observed to be responsible for the increased activity. It is generally believed that fully coordinated sulphided catalysts will be unable to adsorb sulphur-containing molecules, and that sulphur vacancies must be created to provide catalytically active sites. The number of sulphur vacancies is hereby a key measure of the catalytic activity.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Topsoe, H., Clausen, B.S., and Massoth, F.E. (1996) Hydrotreating Catalysis, Science and Technology, Anderson, J.R. and Boudart, M. (eds.), Springer Verlag, Berlin, Heidelberg, New York, Vol. 11.
Byskov, L.S., Hammer, B., Norskov, J.K., Clausen, B.S., and Topsoe, H. (1997) Sulfur Bonding in MoS2 and Co-Mo-S Structures, Catal. Lett. 47, 177–182.
Byskov, L.S., Norskov, J.K., Clausen, B.S., and Topsoe, H. to be submitted to J.Catal.
Pecoraro, T.A. and Chianelli, R.R. (1981) Hydrodesulfurization Catalysis by Transition Metal Sulfides, J. Catal. 67, 430–445.
Norskov, J.K., Clausen, B.S., and Topsoe, H. (1992) Understanding the Trends in the Hydrodesulfurization Activity of the Transition Metal Sulfides, Catal. Lett. 13, 1–8.
Toulhoat, H., Raybaud, P., Kasztelan, S., Kresse, G., and Hafner, J. (1997) Transition Metals to Sulfur Binding Energies Relationship to Catalytic Activities in HDS: Back to Sabatier with First Principle Calculations, Symp. on Advances and Applications of Comp. Chemical Modeling to Heterogeneous Catalysis, 114, 213th National Meeting, ACS.
Visser, J.P.R., Groot, C.K., van Oers, E.M., de Beer, V.H.J., and Prins, R. (1984) Carbon-Supported Transition Metal Sulfides, Bull. Soc. Chim. Belg. 93, 813–821.
Topsoe, H., Clausen, B.S., Topsoe, N.-Y., Norskov, J.K., Ovesen, C.V., and Jacobsen, C.J.H. (1995) The Bond Energy Model for Hydrotreating Reactions: Theoretical and Experimental Aspects, Bull. Soc. Chim. Belg. 104, 283–291.
Hammer, B. and Norskov, J.K. (1995) Why Gold is the Noblest of all the Metals, Nature 376, 238–240.
Hammer, B. and Norskov, J.K. (1997) Theory of Adsorption and Surface Reactions, in R.M. Lambert and G. Pacchioni (eds.), Chemisorption and Reactivity on Supported Clusters and Thin Films, Kluwer Academic Publishers, Dordrecht, pp. 285–351.
Perdew, J.P., Chevary, J.A., Vosko, S.H., Jackson, K.A., Pederson, M.R., Singh, D.J., and Fiolhais, C. (1992) Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation, Phys. Rev. B 46, 6671–6687.
Payne, M.C., Teter, M.P., Allan, D.C., Arias, T.A., and Joannopoulos, J.D. (1992) Iterative Minimization Techniques for ab initio Total-Energy Calculations: Molecular Dynamics and Conjugate Gradients, Rev. Mod. Phys. 64, 1045–1097.
Kresse, G. and Furthmüller, J. (1996) Efficiency of ab-initio Total Energy Calculations for Metals and Semiconductors using a Plane-Wave Basis Set, Comput. Mat. Sci. 6, 15–50.
Troullier, N. and Martins, J.L. (1991) Efficient Pseudopotentials for Plane-Wave Calculations, Phys. Rev. B 43, 1993–2006.
Ibach, H. and Luth, H. (1993) Solid-State Physics, Springer-Verlag, Berlin, Heidelberg, New York.
Ashcroft, N.W. and Mermin, N.D. (1976) Solid State Physics, Crane, D.G. (ed.), W.B. Saunders Company, Philadelphia.
Topsoe, H. and Clausen, B.S. (1984) Importance of Co-Mo-S Type Structures in Hydrodesulfurization, Catal. Rev.-Sci. Eng. 26, 395–420.
Somorjai, G.A. (1992) Building and Characterization of Catalysts on Single Crystal Surfaces, Catal. Lett. 15, 25–37.
Diemann, E., Weber, Th. and Müller, A. (1994) Modeling the Thiophene HDS Reaction on a Molecular Level, J. Catal, 148, 288–303.
Muijsers, J.C., Weber, Th., van Hardeveld, R.M., Zandbergen, H.W. and Niemantsverdriet, J.W. (1995) Sulfidation Study of Molybdenum Oxide Using MoO3/SiO2/Si(100) Model Catalysts and MoN3-Sulfur Cluster Compounds, J. Catal, 157, 698–705.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1998 Springer Science+Business Media Dordrecht
About this chapter
Cite this chapter
Byskov, L.S., Nørskov, J.K., Clausen, B.S., Topsøe, H. (1998). Sulphur Bonding in Transition Metal Sulphides and MoS2 Based Structures. In: Weber, T., Prins, R., van Santen, R.A. (eds) Transition Metal Sulphides. NATO ASI Series, vol 60. Springer, Dordrecht. https://doi.org/10.1007/978-94-017-3577-3_6
Download citation
DOI: https://doi.org/10.1007/978-94-017-3577-3_6
Publisher Name: Springer, Dordrecht
Print ISBN: 978-90-481-5100-4
Online ISBN: 978-94-017-3577-3
eBook Packages: Springer Book Archive