Registro:

Referencias:

• Guerrero-Pérez, M.O., Janas, J., Machej, T., Haber, A., Lewandowska, A., García-Fierro, J., Bañares, M.A., Selective Destruction of Nitrogen-Containing Organic Volatile Compounds over Sb-V-O Catalysts (2007) Appl. Catal. B: Envirom., 71, pp. 85-93
• Kim, B., Park, D., Kim, I., Woo, H., Selective Oxidation of Hydrogen Sulfide over Mixture Catalysts of V-Sb-O and Bi2O3 (2003) Catal. Today, 87, pp. 11-17
• Li, K., Wu, K., Selective Oxidation of Hydrogen Sulfide to Sulfur on Vanadium-Based Catalysts Containing Tin and Antimony (2001) Ind. Eng. Chem. Res., 40, pp. 1052-1057
• Zhang, H., Zhang, J., Sun, K., Feng, Z., Ying, P., Li, C., Catalytic Performance of the Sb-V Mixed Oxide on Sb-V-O/SiO2 Catalysts in Methane Selective Oxidation to Formaldehyde (2006) Catal. Lett., 106, pp. 89-93
• Shishido, T., Inoue, A., Konishi, T., Matsuura, I., Takehira, K., Oxidation of Isobutane over Mo-V-Sb Mixed Oxide Catalyst (2000) Catal. Lett., 68, pp. 215-221
• Guttmann, A., Grasselli, R.K., Brazdil, J.F., (1988), US Pat. 4, 746, 641, 4, 788, 317; Centi, G., Marchi, F., Perathoner, S., Effect of Ammonia Chemisorption on the Surface Reactivity of V-Sb-oxide Catalysts for Propane Ammoxidation (1997) Appl. Catal. A: General, 149, pp. 225-244
• Guerrero-Pérez, M.O., Fierro, J.L.G., Vicente, M.A., Bañares, M.A., Effect of Sb/V Ratio and of Sb+V Coverage on the Molecular Structure and Activity of Alumina-Supported Sb-V-O Catalysts for the Ammoxidation of Propane to Acrylonitrile (2002) J. Catal., 206, pp. 339-348
• Guerrero-Pérez, M.O., Fierro, J.L.G., Bañares, M.A., Effect of Synthesis Method on Stabilized Nano-Scaled Sb-V-O Catalysts for the Ammoxidation of Propane to Acrylonitrile (2006) Top. Catal., 41, pp. 43-53
• Hamid, S., Centi, G., Pal, P., Derouane, E., Site Isolation and Cooperation Effects in the Ammoxidation of Propane with VSbO and Ga/H-ZSM-5 Catalysts (2001) Top. Catal., 15, pp. 161-168
• Grasselli, R.K., Burrington, J.D., Buttrey, D.J., De Santo, P., Langmuir, C.G., Multifunctionality of Active Centers in (Amm)oxidation Catalysts: From Bi-Mo-Ox to Mo-V-Nb-(Te, Sb)-Ox (2003) Top. Catal., 23, pp. 5-22
• Birchall, T., Sleight, A.E., Oxidation States in Vanadium Antimonate (VSbO4) (1976) Inorg. Chem., 15, pp. 868-870
• Hansen, S., Stahl, K., Nilsson, R., Andersson, A., The Crystal Structure of Sb0.92V0.92O4, Determined by Neutron and Dual Wavelength X-ray Powder Diffraction (1993) J. Solid State Chem., 102, pp. 340-348
• Rojas, E., Calatayud, M., Bañares, M.A., Guerrero-Pérez, M.O., Theoretical and Experimental Study of Light Hydrocarbon Ammoxidation and Oxidative Dehydrogenation on (110)-VSbO4 Surfaces (2012) J. Phys. Chem. C, 116, pp. 9132-9141
• Larrondo, S., Irigoyen, B., Baronetti, G., Amadeo, N., Vanadium Antimonate as a Partial Oxidation Catalyst (2003) Appl. Catal. A: General, 250, pp. 279-285
• Centi, G., Mazzoli, P., Structure-Activity Relationship in Sb-V-Oxide Catalysts for the Direct Synthesis of Acrylonitrile from Propane (1996) Catal. Today, 28, pp. 351-362
• Andersson, A., Andersson, S.L.T., Centi, G., Grasselli, R.K., Sanati, M., Trifiro, F., Surface Characterization and Reactivity in Ammoxidation Reactions of Vanadium Antimonate Catalysts (1994) Appl. Catal., 113, pp. 43-57
• Roussel, H., Mehlomakulu, B., Belhadj, F., Van Steen, E., Millet, J.M.M., Active Sites Characterization in Mixed Vanadium and Iron Antimonate Oxide Catalysts for Propane Ammoxidation (2002) J. Catal., 205, pp. 97-106
• Irigoyen, B., Juan, A., Larrondo, S., Amadeo, N., Adsorption Reactions of Toluene on the (110) Vanadium Antimonate Oxide Surface (2001) J. Catal., 201, pp. 169-182
• Irigoyen, B., Juan, A., Larrondo, S., Amadeo, N., The Adsorption of Toluene on V-Sb Oxides. Theoretical Aspects (2003) Surf. Sci., 523, pp. 252-266
• Rojas, E., Calatayud, M., Guerrero-Pérez, M.O., Bañares, M.A., Correlation between Theoretical and Experimental Investigations of the Ammonia Adsorption Process on the (110)-VSbO4 Surface (2010) Catal. Today, 158, pp. 178-185
• Messina, S., Juan, A., Larrondo, S., Irigoyen, B., Amadeo, N., Theoretical Study of the Influence of Cation Vacancies on the Catalytic Properties of Vanadium Antimonate (2008) Appl. Surf. Sci., 254, pp. 5837-5843
• Fujita, H., Kanougi, T., Atoguchi, T., Distribution of Brønsted Acid Sites on Beta Zeolite H-BEA: A Periodic Density Functional Theory Calculation (2006) Appl. Catal. A: General, 313, pp. 160-166
• Alberti, A., Location of Brønsted Sites in Mordenite (1997) Zeolites, 19, pp. 411-415
• Soyer, S., Uzun, A., Senkan, S., Onal, I., A Quantum Chemical Study of Nitric Oxide Reduction by Ammonia (SCR Reaction) on V2O5 Catalyst Surface (2006) Catal. Today, 118, pp. 268-278
• Kresse, G., Furthmüller, J., http://cms.mpi.univie.ac.at/vasp/vasp/vasp.html, (accessed Feb 2, 2013); Kresse, G., Furthmuller, J., Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set (1996) Comput. Mater. Sci., 6, pp. 15-50
• Kresse, G., Hafner, J., Ab Initio Molecular Dynamics for Liquid Metals (1993) Phys. Rev. B, 47, pp. 558-561
• Perdew, J.P., Chevary, J.A., Vosko, S.H., Jackson, K.A., Pederson, M.R., Singh, D.J., Fiolhais, C., Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation (1992) Phys. Rev. B, 46, pp. 6671-6687
• Kresse, G., Joubert, D., From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method (1999) Phys. Rev. B, 59, pp. 1758-1775
• Monkhorst, H.J., Pack, J., Special Points for Brillouin-Zone Integrations (1976) Phys. Rev. B, 13, pp. 5188-5192
• Hoffmann, R., (1988) Solids and Surfaces: A Chemist's View of Bonding in Extended Structures, , VCH: New York
• Soler, J.M., Artacho, E., Gale, J.D., García, A., Junquera, J., Ordejón, P., Sánchez-Portal, D., The SIESTA Method for ab Initio Order-N Materials Simulation (2002) J. Phys.: Condens. Matter, 14, p. 2745
• Berry, F.J., Smart, L.E., Duhalde, S., Titanium-Substituted Vanadium and Iron Antimonates (1996) Polyhedron, 15, pp. 651-654
• Centi, G., Mazzoli, P., Perathoner, S., Dependence of the Catalytic Behavior of v - Sb-Oxides in Propane Ammoxidation to Acrylonitrile from the Method of Preparation (1997) Appl. Catal., A, 165, pp. 273-290
• Callahan, J.L., Grasselli, R.K., A Selectivity Factor in Vapor-Phase Hydrocarbon Oxidation Catalysis (1963) AIChE J., 9, pp. 755-760
• Grasselli, R.K., (1997) Handbook of Heterogeneous Catalysis: Ammoxidation, 5, p. 2302. , Ertl, G. Knoezinger, H. Weitkamp, J. John Wiley and Sons: New York
• Haras, A., Witko, M., Salahub, D.R., Hermann, K., Tokarz, R., Electronic Properties of the VO2 (011) Surface: Density Functional Cluster Calculations (2001) Surf. Sci., 491, pp. 77-87
• Guelfucci, M.F., Electronic Calculations on Rutile VO2 by the LMTO-ASA Method (2001) J. Phys. Chem. Solids, 62, pp. 1961-1966
• Wertheim, G.K., Campagna, M., Guggenheim, H.J., Remeika, J.P., Buchanan, D.N.E., X-ray Photoemission Study of Metal-Insulator Transitions in VO 2 V2O3 and NiS (1975) AIP Conf. Proc., 24, pp. 235-237
• Mellan, T.A., Grau-Crespo, R., Density Functional Theory Study of Rutile VO2 Surfaces (2012) J. Chem. Phys., 137, p. 154706. , (1-8)
• Centi, G., Marchi, F., Perathoner, S., Surface Chemistry of V-Sb-Oxide in Relation to the Mechanism of AcrylonitrileS from Propane. Part 2. Reactivity towards Ammonia and Relationship with Catalytic Behavior (1996) J. Chem. Soc. Faraday Trans., 92, pp. 5151-5159
• Henkelman, G., Arnaldsson, A., Jonsson, H., A Fast and Robust Algorithm for Bader Decomposition of Charge Density (2006) Comput. Mater. Sci., 36, pp. 354-360
• Grasselli, R.K., Advances and Future Trends in Selective Oxidation and Ammoxidation Catalysis (1999) Catal. Today, 49, pp. 141-153
• Hammer, B., Wendt, S., Besenbacher, F., Water Adsorption on TiO2 (2010) Top. Catal., 53, pp. 423-430
• Nisar, J., Araujo, C.M., Ahuja, R., Water Interaction with Native Defects on Rutile TiO2 Nanowire: Ab Initio Calculations (2011) Appl. Phys. Lett., 98, p. 083115. , (1-3)
• Miao, M., Liu, Y., Wang, Q., Wu, T., Huang, L., Gubbins, K.E., Nardelli, M.B., Activation of Water on the TiO2 (110) Surface: The case of Ti Adatoms (2012) J. Chem. Phys., 136, p. 064703. , (1-5)
• Lindan, P.J.D., Harrison, N.M., Gillan, M.J., Mixed Dissociative and Molecular Adsorption of Water on the Rutile (110) Surface (1998) Phys. Rev. Lett., 80, pp. 762-765
• Lindan, P.J.D., Zhang, C., Exothermic Water Dissociation on the Rutile TiO2(110) Surface (2005) Phys. Rev. B, 72, p. 075439. , (1-7)

Citas:

---------- APA ----------

---------- CHICAGO ----------

---------- MLA ----------

---------- VANCOUVER ----------