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Volumn 64, Issue 6, 2009, Pages 707-718

A DFT study of comos and nimos catalysts: From nano-crystallite morphology to selective hydrodesulfurization;Étude dft des catalyseurs comos et nimos: De la morphologie des nano-cristallites à l'hydrodésulfuration selective

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE PHASIS; ACTIVE SITE; ATOMIC SCALE; COMPETITIVE ADSORPTION; CRYSTALLITE MORPHOLOGY; DFT CALCULATION; DFT STUDY; KINETIC MODELLING; METHYLTHIOPHENE; NIMOS CATALYSTS; OLEFIN HYDROGENATION; REACTION CONDITIONS; SELECTIVE HYDRODESULFURIZATION; THERMODYNAMIC MODEL;

EID: 71849109065     PISSN: 12944475     EISSN: None     Source Type: Journal    
DOI: 10.2516/ogst/2009004     Document Type: Article
Times cited : (34)

References (82)
  • 3
    • 0000758099 scopus 로고    scopus 로고
    • Ertl G., Knözinger H., Weitkamp J. (Eds.), Wiley-VHC Verlagsgesellschaft, Weinheim
    • Prins R. (1997) Handbook of Heterogeneous Catalysis, Ertl G., Knözinger H., Weitkamp J. (Eds.), Wiley-VHC Verlagsgesellschaft, Weinheim, Vol. 4, p. 1908.
    • (1997) Handbook of Heterogeneous Catalysis , vol.4 , pp. 1908
    • Prins, R.1
  • 4
    • 0022062014 scopus 로고
    • High resolution electron microscopy of hydrodesulfurization catalysts: A review
    • Delannay F. (1985) High resolution electron microscopy of hydrodesulfurization catalysts: A review, Appl. Catal. 16, 135.
    • (1985) Appl. Catal. , vol.16 , pp. 135
    • Delannay, F.1
  • 5
    • 0024714807 scopus 로고
    • Genesis and characterization by laser Raman spectroscopy and high-resolution electron microscopy of supported molybdenum disulfide crystallites
    • Payen E., Kasztelan S., Houssenbay S., Szymansky R., Grimblot J. (1989) Genesis and characterization by laser Raman spectroscopy and high-resolution electron microscopy of supported molybdenum disulfide crystallites, J. Phys. Chem. 93, 6501.
    • (1989) J. Phys. Chem. , vol.93 , pp. 6501
    • Payen, E.1    Kasztelan, S.2    Houssenbay, S.3    Szymansky, R.4    Grimblot, J.5
  • 6
    • 0001473621 scopus 로고
    • A combined X-Ray photoelectron and Mössbauer emission spectroscopy study of the state of cobalt in sulfided, supported, and unsupported Co-Mo catalysts
    • Alstrup I., Chorkendorff I., Candia R., Clausen B.S., Topsoe H. (1982) A combined X-Ray photoelectron and Mössbauer emission spectroscopy study of the state of cobalt in sulfided, supported, and unsupported Co-Mo catalysts, J. Catal. 77, 397.
    • (1982) J. Catal. , vol.77 , pp. 397
    • Alstrup, I.1    Chorkendorff, I.2    Candia, R.3    Clausen, B.S.4    Topsoe, H.5
  • 7
    • 0020782579 scopus 로고
    • 3 catalysts by pH regulation of molybdenum solution. characterization of supported species and hydrogenation activities
    • Kasztelan S., Grimblot J., Bonnelle J.P., Payen E., Toulhoat H., Jacquin Y. (1983) Preparation of Co-Mo-γ-Al2O3 and Ni-Mo-γ-Al2O3 catalysts by pH regulation of molybdenum solution. characterization of supported species and hydrogenation activities, Appl. Catal. 7, 91.
    • (1983) Appl. Catal. , vol.7 , pp. 91
    • Kasztelan, S.1    Grimblot, J.2    Bonnelle, J.P.3    Payen, E.4    Toulhoat, H.5    Jacquin, Y.6
  • 8
    • 0000144255 scopus 로고
    • Low-temperature synthesis of mixed NiMo sulfides: Structural, textural and catalytic properties
    • Garreau F.B., Toulhoat H., Kasztelan S., Paulus R. (1986) Low-temperature synthesis of mixed NiMo sulfides: structural, textural and catalytic properties, Polyhedron 5, 211.
    • (1986) Polyhedron , vol.5 , pp. 211
    • Garreau, F.B.1    Toulhoat, H.2    Kasztelan, S.3    Paulus, R.4
  • 9
    • 0024962570 scopus 로고
    • Nature of the different nickel species in sulfided bulk and alumina-supported nickel-molybdenum hydrotreating catalysts
    • Houssenbay S., Kasztelan S., Toulhoat H., Bonnelle J.P., Grimblot J. (1989) Nature of the different nickel species in sulfided bulk and alumina-supported nickel-molybdenum hydrotreating catalysts, J. Phys. Chem. 93, 7176.
    • (1989) J. Phys. Chem. , vol.93 , pp. 7176
    • Houssenbay, S.1    Kasztelan, S.2    Toulhoat, H.3    Bonnelle, J.P.4    Grimblot, J.5
  • 10
    • 0000937188 scopus 로고
    • 3 hydrodesulfurization catalysts: Combined in situ Mössbauer emission spectroscopy and activity studies
    • Wivel C., Candia R., Clausen B.S., Mørup S., Topsøe H. (1981) On the catalytic significance of a Co-Mo-S phase in Co-Mo/Al2O3 hydrodesulfurization catalysts: Combined in situ Mössbauer emission spectroscopy and activity studies, J. Catal. 68, 453.
    • (1981) J. Catal. , vol.68 , pp. 453
    • Wivel, C.1    Candia, R.2    Clausen, B.S.3    Mørup, S.4    Topsøe, H.5
  • 12
    • 0021513083 scopus 로고
    • Unsupported cobalt molybdenum sulfide catalysts Part II: Characterization and evolution of physicochemical properties during catalytic reaction
    • Breysse M., Frety R., Vrinat M. (1984) Unsupported cobalt molybdenum sulfide catalysts Part II: Characterization and evolution of physicochemical properties during catalytic reaction, Appl. Catal. 12, 165.
    • (1984) Appl. Catal. , vol.12 , pp. 165
    • Breysse, M.1    Frety, R.2    Vrinat, M.3
  • 15
    • 0001412429 scopus 로고
    • Insitu studies of catalysts by XAFS and Mössbauer spectroscopy
    • Clausen B.S., Topsøe H. (1989) Insitu studies of catalysts by XAFS and Mössbauer spectroscopy, Hyperfine Interact. 47, 203.
    • (1989) Hyperfine Interact. , vol.47 , pp. 203
    • Clausen, B.S.1    Topsøe, H.2
  • 18
    • 0000806874 scopus 로고    scopus 로고
    • 2 Particles
    • Shido T., Prins R. (1998) Why EXAFS Underestimated the Size of Small Supported MoS2 Particles, J. Phys. Chem. B. 102, 8426.
    • (1998) J. Phys. Chem. B , vol.102 , pp. 8426
    • Shido, T.1    Prins, R.2
  • 19
    • 48749149873 scopus 로고
    • 3 catalysts by NO chemisorption
    • Topsøe N.-Y., Topsøe H. (1983) Characterization of the structures and active sites in sulfided Co-Mo/Al2O3 and Ni-Mo/Al2O3 catalysts by NO chemisorption, J. Catal. 84, 386.
    • (1983) J. Catal. , vol.84 , pp. 386
    • Topsøe, N.-Y.1    Topsøe, H.2
  • 22
    • 33947405174 scopus 로고    scopus 로고
    • Understanding and predicting improved sulfide catalysts: Insights from first principles modeling
    • Raybaud P. (2007) Understanding and predicting improved sulfide catalysts: Insights from first principles modeling, Appl. Catal. A: Gen. 322, 76.
    • (2007) Appl. Catal. A: Gen. , vol.322 , pp. 76
    • Raybaud, P.1
  • 23
    • 36249024713 scopus 로고    scopus 로고
    • Computational studies of (mixed) sulfide hydrotreating catalysts
    • Paul J.-F., Cristol S., Payen E. (2008) Computational studies of (mixed) sulfide hydrotreating catalysts, Catal. Today 130, 139.
    • (2008) Catal. Today , vol.130 , pp. 139
    • Paul, J.-F.1    Cristol, S.2    Payen, E.3
  • 24
    • 0000625412 scopus 로고    scopus 로고
    • 2 Catalyst: An ab Initio Local Density Functional Study
    • Raybaud P., Hafner J., Kresse G., Kasztelan S., Toulhoat H. (2000) Structure, Energetics, and Electronic Properties of the Surface of a Promoted MoS2 Catalyst: An ab Initio Local Density Functional Study, J. Catal. 190, 128.
    • (2000) J. Catal. , vol.190 , pp. 128
    • Raybaud, P.1    Hafner, J.2    Kresse, G.3    Kasztelan, S.4    Toulhoat, H.5
  • 25
    • 0036439067 scopus 로고    scopus 로고
    • Promoter Sensitive shapes of Co(Ni)MoS Nanocatalysts in Sulfo-reductive Conditions
    • Schweiger H., Raybaud P., Toulhoat H. (2002) Promoter Sensitive shapes of Co(Ni)MoS Nanocatalysts in Sulfo-reductive Conditions, J. Catal. 212, 33.
    • (2002) J. Catal. , vol.212 , pp. 33
    • Schweiger, H.1    Raybaud, P.2    Toulhoat, H.3
  • 29
    • 34247376549 scopus 로고    scopus 로고
    • Transformation of a model FCC gasoline olefin over transition monometallic sulfide catalysts
    • Daudin A., Brunet S., Perot G., Raybaud P., Bouchy C. (2007) Transformation of a model FCC gasoline olefin over transition monometallic sulfide catalysts, J. Catal. 248, 111.
    • (2007) J. Catal. , vol.248 , pp. 111
    • Daudin, A.1    Brunet, S.2    Perot, G.3    Raybaud, P.4    Bouchy, C.5
  • 30
    • 36248968108 scopus 로고    scopus 로고
    • Microkinetic interpretation of HDS/HYDO selectivity of the transformation of a model FCC gasoline over transition metal sulfides
    • Daudin A., Lamic A.F., Perot G., Brunet S., Raybaud P., Bouchy C. (2008) Microkinetic interpretation of HDS/HYDO selectivity of the transformation of a model FCC gasoline over transition metal sulfides, Catal. Today 130, 221.
    • (2008) Catal. Today , vol.130 , pp. 221
    • Daudin, A.1    Lamic, A.F.2    Perot, G.3    Brunet, S.4    Raybaud, P.5    Bouchy, C.6
  • 32
    • 4744365144 scopus 로고    scopus 로고
    • 3 catalyst: Effect of the addition of potassium
    • Mey D., Brunet S., Canaff C., Maugé F., Bouchy C., Diehl F. (2004) HDS of a model FCC gasoline over a sulfided CoMo/Al2O3 catalyst: Effect of the addition of potassium, J. Catal. 227, 436.
    • (2004) J. Catal. , vol.227 , pp. 436
    • Mey, D.1    Brunet, S.2    Canaff, C.3    Maugé, F.4    Bouchy, C.5    Diehl, F.6
  • 33
    • 45549109212 scopus 로고    scopus 로고
    • 2S partial pressure on the transformation of a model FCC gasoline olefin over unsupported molybdenum sulfide-based catalysts
    • Lamic A.F., Daudin A., Brunet S., Legens C., Bouchy C., Devers E. (2008) Effect of H2S partial pressure on the transformation of a model FCC gasoline olefin over unsupported molybdenum sulfide-based catalysts, Appl. Catal. A: Gen. 344, 198.
    • (2008) Appl. Catal. A: Gen. , vol.344 , pp. 198
    • Lamic, A.F.1    Daudin, A.2    Brunet, S.3    Legens, C.4    Bouchy, C.5    Devers, E.6
  • 34
    • 2542449258 scopus 로고    scopus 로고
    • Alumina-supported cobalt-molybdenum sulfide modified by tin via surface organometallic chemistry: Application to the simultaneous hydrodesulfurization of thiophenic compounds and the hydrogenation of olefins
    • Choi J.-S., Mauge F., Pichon C., Olivier-Fourcade J., Jumas J.-C., Petit-Clair C., Uzio D. (2004) Alumina-supported cobalt-molybdenum sulfide modified by tin via surface organometallic chemistry: application to the simultaneous hydrodesulfurization of thiophenic compounds and the hydrogenation of olefins, Appl. Catal. A: Gen. 267, 203.
    • (2004) Appl. Catal. A: Gen. , vol.267 , pp. 203
    • Choi, J.-S.1    Mauge, F.2    Pichon, C.3    Olivier-Fourcade, J.4    Jumas, J.-C.5    Petit-Clair, C.6    Uzio, D.7
  • 35
    • 1942436237 scopus 로고    scopus 로고
    • DBT derivatives adsorption over molybdenum sulfide catalysts: A theoretical study
    • Cristol S., Paul J.F., Payen E., Bougeard D., Hutschka F., Clemendot S. (2004) DBT derivatives adsorption over molybdenum sulfide catalysts: a theoretical study, J. Catal. 224, 138.
    • (2004) J. Catal. , vol.224 , pp. 138
    • Cristol, S.1    Paul, J.F.2    Payen, E.3    Bougeard, D.4    Hutschka, F.5    Clemendot, S.6
  • 37
    • 0000028133 scopus 로고    scopus 로고
    • 2: An ab initio local-density-functional study
    • Raybaud P., Hafner J., Kresse G., Toulhoat H. (1998) Adsorption of thiophene on the catalytically active surface of MoS2: An ab initio local-density-functional study, Phys. Rev. Lett. 80, 1481.
    • (1998) Phys. Rev. Lett. , vol.80 , pp. 1481
    • Raybaud, P.1    Hafner, J.2    Kresse, G.3    Toulhoat, H.4
  • 38
    • 33745015597 scopus 로고    scopus 로고
    • Adsorption Thermodynamics of Sulfur - and Nitrogen-containing Molecules on NiMoS: A DFT Study
    • Sun M., Nelson A.E., Adjaye J. (2006) Adsorption Thermodynamics of Sulfur - and Nitrogen-containing Molecules on NiMoS: A DFT Study, Catal. Lett. 109, 133.
    • (2006) Catal. Lett. , vol.109 , pp. 133
    • Sun, M.1    Nelson, A.E.2    Adjaye, J.3
  • 39
    • 0742269536 scopus 로고    scopus 로고
    • 2 cluster-model catalysts and the experimental HDS activity: Ab initio density functional study
    • Orita H., Uchida K., Itoh N. (2004) A volcano-type relationship between the adsorption energy of thiophene on promoted MoS2 cluster-model catalysts and the experimental HDS activity: ab initio density functional study, Appl. Catal. A: Gen. 258, 115.
    • (2004) Appl. Catal. A: Gen. , vol.258 , pp. 115
    • Orita, H.1    Uchida, K.2    Itoh, N.3
  • 40
    • 36248969203 scopus 로고    scopus 로고
    • A density functional theory study of the hydrodesulfurization reaction of dibenzothiophene to biphenyl on a single-layer NiMoS cluster
    • Weber T., Van Veen J.A. (2008) A density functional theory study of the hydrodesulfurization reaction of dibenzothiophene to biphenyl on a single-layer NiMoS cluster, Catal. Today 130, 170.
    • (2008) Catal. Today , vol.130 , pp. 170
    • Weber, T.1    van Veen, J.A.2
  • 41
    • 15944410336 scopus 로고    scopus 로고
    • Adsorption and hydro-genation of pyridine and pyrrole on NiMoS: An ab initio density-functional theory study
    • Sun M.Y., Nelson A.E., Adjaye J. (2005) Adsorption and hydro-genation of pyridine and pyrrole on NiMoS: an ab initio density-functional theory study, J. Catal. 231, 223.
    • (2005) J. Catal. , vol.231 , pp. 223
    • Sun, M.Y.1    Nelson, A.E.2    Adjaye, J.3
  • 42
    • 27544468255 scopus 로고    scopus 로고
    • First principles study of heavy oil organonitrogen adsorption on NiMoS hydrotreating catalysts
    • Sun M.Y., Nelson A.E., Adjaye J. (2005) First principles study of heavy oil organonitrogen adsorption on NiMoS hydrotreating catalysts, Catal. Today 109, 49.
    • (2005) Catal. Today , vol.109 , pp. 49
    • Sun, M.Y.1    Nelson, A.E.2    Adjaye, J.3
  • 43
    • 27844598756 scopus 로고    scopus 로고
    • 2
    • Todorova T., Prins R., Weber T. (2005) A density functional theory study of the hydrogenolysis reaction of CH3SH to CH4 on the catalytically active (100) edge of 2H-MoS2, J. Catal. 236, 190.
    • (2005) J. Catal. , vol.236 , pp. 190
    • Todorova, T.1    Prins, R.2    Weber, T.3
  • 44
    • 34248336259 scopus 로고    scopus 로고
    • 2 catalysts at realistic conditions: A density functional study
    • Moses P.G., Hinnemann B., Topsoe H., Norskov J. (2007) The hydrogenation and direct desulfurization reaction pathway in thiophene hydrodesulfurization over MoS2 catalysts at realistic conditions: A density functional study, J. Catal. 248, 188-203.
    • (2007) J. Catal. , vol.248 , pp. 188-203
    • Moses, P.G.1    Hinnemann, B.2    Topsoe, H.3    Norskov, J.4
  • 45
    • 56249109107 scopus 로고    scopus 로고
    • A DFT study of the origin of the HDS/HydO selectivity on Co(Ni)MoS active phases
    • Krebs E., Silvi B., Daudin A., Raybaud P. (2008) A DFT study of the origin of the HDS/HydO selectivity on Co(Ni)MoS active phases, J. Catal. 260, 276.
    • (2008) J. Catal. , vol.260 , pp. 276
    • Krebs, E.1    Silvi, B.2    Daudin, A.3    Raybaud, P.4
  • 46
    • 0024053537 scopus 로고
    • Parameter-free calculations of total energies, interatomic forces and vibrational entropies of defects in semiconductors
    • Scheffler M., Dabrowski J. (1988) Parameter-free calculations of total energies, interatomic forces and vibrational entropies of defects in semiconductors, Philos. Mag. A 58, 107.
    • (1988) Philos. Mag. A , vol.58 , pp. 107
    • Scheffler, M.1    Dabrowski, J.2
  • 47
    • 30244560845 scopus 로고
    • First-principles study of the atomic reconstructions and energies of Ga- and Asstabilized GaAs(100)
    • Quian G.X., Martin R.M., Chadi D.J. (1988) First-principles study of the atomic reconstructions and energies of Ga- and Asstabilized GaAs(100), Phys. Rev. B 38 11, 7649.
    • (1988) Phys. Rev. B , vol.38 , Issue.11 , pp. 7649
    • Quian, G.X.1    Martin, R.M.2    Chadi, D.J.3
  • 48
    • 0542376102 scopus 로고    scopus 로고
    • Ab initio studies of the (111) and (-1 -1 -1) surfaces of cubic BN: Structure and energetics
    • Kadas K., Kern G., Hafner J. (1998) Ab initio studies of the (111) and (-1 -1 -1) surfaces of cubic BN: Structure and energetics, Phys. Rev. B 58 23, 1.
    • (1998) Phys. Rev. B , vol.58 , Issue.23 , pp. 1
    • Kadas, K.1    Kern, G.2    Hafner, J.3
  • 52
    • 0034111098 scopus 로고    scopus 로고
    • 2 Gas-Solid Interface: The Nature of the Catalytically Active Sites
    • Raybaud P., Hafner J., Kresse G., Kasztelan S., Toulhoat H. (2000) Ab Initio Study of the H2-H2S/MoS2 Gas-Solid Interface: The Nature of the Catalytically Active Sites, J. Catal. 189, 129.
    • (2000) J. Catal. , vol.189 , pp. 129
    • Raybaud, P.1    Hafner, J.2    Kresse, G.3    Kasztelan, S.4    Toulhoat, H.5
  • 55
    • 33846919600 scopus 로고    scopus 로고
    • 2 and CoMoS active phases: A DFT study
    • Costa D., Arrouvel C., Breysse M., Toulhoat H., Raybaud P. (2007) Edge wetting effects of γ-Al2O3 and anatase-TiO2 supports by MoS2 and CoMoS active phases: A DFT study, J. Catal. 246, 325.
    • (2007) J. Catal. , vol.246 , pp. 325
    • Costa, D.1    Arrouvel, C.2    Breysse, M.3    Toulhoat, H.4    Raybaud, P.5
  • 56
    • 33645898818 scopus 로고
    • Accurate and simple analytic representation of the electron-gas correlation energy
    • Perdew J.P., Wang Y. (1992) Accurate and simple analytic representation of the electron-gas correlation energy, Phys. Rev. B 45, 13244.
    • (1992) Phys. Rev. B , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 58
    • 0042113153 scopus 로고
    • Self-Consistent Equations Including Exchange and Correlation Effects
    • Kohn W., Sham L.J. (1965) Self-Consistent Equations Including Exchange and Correlation Effects, Phys. Rev. A 140, 1133.
    • (1965) Phys. Rev. A , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 59
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of abinitio total energy calculations for metals and semiconductors using a plane-wave basis set
    • Kresse G., Furthmüller J. (1996) Efficiency of abinitio total energy calculations for metals and semiconductors using a plane-wave basis set, Comput. Mater. Sci. 6, 15.
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15
    • Kresse, G.1    Furthmüller, J.2
  • 60
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • Kresse G., Joubert D. (1999) From ultrasoft pseudopotentials to the projector augmented-wave method, Phys. Rev. B 59, 1758.
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 61
    • 0033216180 scopus 로고    scopus 로고
    • 2-Based Hydrodesulfurization Catalysts
    • Byskov L.S., Nørskov J.K., Clausen B.S., Topsøe H. (1999) DFT Calculations of Unpromoted and Promoted MoS2-Based Hydrodesulfurization Catalysts, J. Catal. 187, 109.
    • (1999) J. Catal. , vol.187 , pp. 109
    • Byskov, L.S.1    Nørskov, J.K.2    Clausen, B.S.3    Topsøe, H.4
  • 62
    • 3242662415 scopus 로고    scopus 로고
    • 2-edge structures
    • Sun M., Nelson A.E., Adjaye J. (2004) On the incorporation of nickel and cobalt into MoS2-edge structures, J. Catal. 226, 32.
    • (2004) J. Catal. , vol.226 , pp. 32
    • Sun, M.1    Nelson, A.E.2    Adjaye, J.3
  • 63
    • 36249024157 scopus 로고    scopus 로고
    • Mixed sites and promoter segregation: A DFT study of the manifestation of Le Chatelier's principle for the Co(Ni)MoS active phase in reaction conditions
    • Krebs E., Silvi B., Raybaud P. (2008) Mixed sites and promoter segregation: A DFT study of the manifestation of Le Chatelier's principle for the Co(Ni)MoS active phase in reaction conditions, Catal. Today 130, 160.
    • (2008) Catal. Today , vol.130 , pp. 160
    • Krebs, E.1    Silvi, B.2    Raybaud, P.3
  • 64
    • 12344322771 scopus 로고    scopus 로고
    • Structure of the Active Sites of Co-Mo Hydrodesulfurization Catalysts as Studied by Magnetic Susceptibility Measurement and NO Adsorption
    • Okamoto Y., Kawano M., Kawabata T., Kubota T., Hiromitsu I. (2005) Structure of the Active Sites of Co-Mo Hydrodesulfurization Catalysts as Studied by Magnetic Susceptibility Measurement and NO Adsorption, J. Phys. Chem. B 109, 288.
    • (2005) J. Phys. Chem. B , vol.109 , pp. 288
    • Okamoto, Y.1    Kawano, M.2    Kawabata, T.3    Kubota, T.4    Hiromitsu, I.5
  • 67
    • 33751500614 scopus 로고
    • EXAFS determination of the structure of cobalt in carbon-supported cobalt and cobalt-molybdenum sulfide hydrodesulfurization catalysts
    • Bouwens S.M.A.M., Veen J.A.R. van, Koningsberger D.C., Beer V.H.J. de, Prins R. (1991) EXAFS determination of the structure of cobalt in carbon-supported cobalt and cobalt-molybdenum sulfide hydrodesulfurization catalysts, J. Phys. Chem. 95, 123.
    • (1991) J. Phys. Chem. , vol.95 , pp. 123
    • Bouwens, S.M.A.M.1    Van Veen, J.A.R.2    Koningsberger, D.C.3    de Beer, V.H.J.4    Prins, R.5
  • 68
    • 34249955261 scopus 로고
    • X-Ray absorption studies of the Ni environment in Ni-Mo-S
    • Niemann W., Clausen B.S., Topsoe H. (1990) X-Ray absorption studies of the Ni environment in Ni-Mo-S, Catal. Lett. 4, 355.
    • (1990) Catal. Lett. , vol.4 , pp. 355
    • Niemann, W.1    Clausen, B.S.2    Topsoe, H.3
  • 69
    • 44049122970 scopus 로고
    • Ni EXAFS studies of the Ni-Mo-S structure in carbon-supported and alumina-supported Ni-Mo catalysts
    • Louwers S.P.A, Prins R. (1992) Ni EXAFS studies of the Ni-Mo-S structure in carbon-supported and alumina-supported Ni-Mo catalysts, J. Catal. 133, 94.
    • (1992) J. Catal. , vol.133 , pp. 94
    • Louwers, S.P.A.1    Prins, R.2
  • 70
    • 0000326522 scopus 로고
    • Sur la formation des cristaux et sur les constantes capillaires de leurs différentes faces
    • Curie M.P. (1885) Sur la formation des cristaux et sur les constantes capillaires de leurs différentes faces, B. Soc. Min. France 8, 145.
    • (1885) B. Soc. Min. France , vol.8 , pp. 145
    • Curie, M.P.1
  • 71
    • 0001421454 scopus 로고
    • Zur Frage der Geschwindigkeit des Wachstums und der Auflösung der Krystallflächen
    • Wulff G. (1901) Zur Frage der Geschwindigkeit des Wachstums und der Auflösung der Krystallflächen, Z. Kristallogr. 34, 449.
    • (1901) Z. Kristallogr , vol.34 , pp. 449
    • Wulff, G.1
  • 72
    • 36249015889 scopus 로고    scopus 로고
    • Optimal promoter edge decoration of CoMoS catalysts: A combined theoretical and experimental study
    • Gandubert A., Krebs E., Legens C., Costa D., Guillaume D., Raybaud P. (2008) Optimal promoter edge decoration of CoMoS catalysts: A combined theoretical and experimental study, Catal. Today 130, 149.
    • (2008) Catal. Today , vol.130 , pp. 149
    • Gandubert, A.1    Krebs, E.2    Legens, C.3    Costa, D.4    Guillaume, D.5    Raybaud, P.6
  • 73
    • 34147106644 scopus 로고    scopus 로고
    • X-ray photoelectron spectroscopy surface quantification of sulfided CoMoP catalysts - Relation between activity and promoted sites - Part I: Influence of the Co/Mo ratio, Oil Gas Sci
    • Gandubert A., Legens C., Guillaume D., Rebours S., Payen E. (2007) X-ray photoelectron spectroscopy surface quantification of sulfided CoMoP catalysts - Relation between activity and promoted sites - Part I: Influence of the Co/Mo ratio, Oil Gas Sci. Technol. - Rev. IFP 62, 79.
    • (2007) Technol. - Rev. IFP , vol.62 , pp. 79
    • Gandubert, A.1    Legens, C.2    Guillaume, D.3    Rebours, S.4    Payen, E.5
  • 75
    • 0035742065 scopus 로고    scopus 로고
    • The Bronsted-Evans-Polanyi Relation and the Volcano Plot for Ammonia Synthesis over Transition Metal Catalysts
    • Logadottir A., Rod T.H., Nørskov J.K., Hammer B., Dahl S., Jacobsen C.J.H. (2001) The Bronsted-Evans-Polanyi Relation and the Volcano Plot for Ammonia Synthesis over Transition Metal Catalysts, J. Catal. 197, 229.
    • (2001) J. Catal. , vol.197 , pp. 229
    • Logadottir, A.1    Rod, T.H.2    Nørskov, J.K.3    Hammer, B.4    Dahl, S.5    Jacobsen, C.J.H.6
  • 76
    • 0000696606 scopus 로고    scopus 로고
    • Ab initio density functional studies of transition-metal sulphides: I. Crytal structure and cohesive properties
    • Raybaud P., Hafner J., Kresse G., Toulhoat H. (1997) Ab initio density functional studies of transition-metal sulphides: I. Crytal structure and cohesive properties, J. Phys. Cond. 9, 11085.
    • (1997) J. Phys. Cond. , vol.9 , pp. 11085
    • Raybaud, P.1    Hafner, J.2    Kresse, G.3    Toulhoat, H.4
  • 77
    • 0000134254 scopus 로고    scopus 로고
    • Transition metals to sulfur binding energies relationship to catalytic activities in HDS: Back to Sabatier with first principle calculations
    • Toulhoat H., Raybaud P., Kasztelan S., Kresse G., Hafner J. (1999) Transition metals to sulfur binding energies relationship to catalytic activities in HDS: back to Sabatier with first principle calculations, Catal. Today 50, 629.
    • (1999) Catal. Today , vol.50 , pp. 629
    • Toulhoat, H.1    Raybaud, P.2    Kasztelan, S.3    Kresse, G.4    Hafner, J.5
  • 78
    • 0038006762 scopus 로고    scopus 로고
    • Kinetic interpretation of catalytic activity patterns based on theoretical descriptors
    • Toulhoat H., Raybaud P. (2003) Kinetic interpretation of catalytic activity patterns based on theoretical descriptors, J. Catal. 216, 63.
    • (2003) J. Catal. , vol.216 , pp. 63
    • Toulhoat, H.1    Raybaud, P.2
  • 79
    • 84981753019 scopus 로고
    • Hydrogénations et déshydrogénations par catalyse, Berichte der Deutschen
    • 2001
    • Sabatier P. (1911) Hydrogénations et déshydrogénations par catalyse, Berichte der Deutschen Chem. Gesellschaft 44, 2001.
    • (1911) Chem. Gesellschaft , vol.44
    • Sabatier, P.1
  • 80
    • 65249124618 scopus 로고    scopus 로고
    • Topological analysis of the interactions between organic molecules and Co(Ni)MoS catalytic active phase
    • DOI: 10.1021/ct800344r
    • Krebs E., Silvi B., Raybaud P. (2009) Topological analysis of the interactions between organic molecules and Co(Ni)MoS catalytic active phase, J. Comput. Theoretical Chem. DOI: 10.1021/ct800344r.
    • (2009) J. Comput. Theoretical Chem.
    • Krebs, E.1    Silvi, B.2    Raybaud, P.3
  • 82
    • 71849091592 scopus 로고    scopus 로고
    • A rational comparison of the optimal promoter edge decoration of HDT Ni MoS vs CoMoS catalysts
    • this issue
    • Marchand K., Legens C., Guillaume D., Raybaud P. (2009) A rational comparison of the optimal promoter edge decoration of HDT Ni MoS vs CoMoS catalysts, Oil Gas Sci. Technol., this issue.
    • (2009) Oil Gas Sci. Technol.
    • Marchand, K.1    Legens, C.2    Guillaume, D.3    Raybaud, P.4


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