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α-d-Glucopyranose Adsorption on a Pd30 Cluster Supported on Boron Nitride Nanotube

Bibliographic reference Prestianni, Antonio ; Cortese, Remedios ; Ferrante, Francesco ; Schimmenti, Roberto ; Duca, Dario ; et. al. α-d-Glucopyranose Adsorption on a Pd30 Cluster Supported on Boron Nitride Nanotube. In: Topics in Catalysis, , p. 1-7 (2016)
Permanent URL http://hdl.handle.net/2078.1/182139
  1. Armaković S. J., Armaković S., Finčur N. L., Šibul F., Vione D., Šetrajčić J. P., Abramović B. F., Influence of electron acceptors on the kinetics of metoprolol photocatalytic degradation in TiO2 suspension. A combined experimental and theoretical study, 10.1039/c5ra10523d
  2. Becton Matthew, Wang Xianqiao, Grain-size dependence of mechanical properties in polycrystalline boron-nitride: a computational study, 10.1039/c5cp03460d
  3. Besson Michèle, Gallezot Pierre, Pinel Catherine, Conversion of Biomass into Chemicals over Metal Catalysts, 10.1021/cr4002269
  4. Bruix Albert, Rodriguez José A., Ramírez Pedro J., Senanayake Sanjaya D., Evans Jaime, Park Joon B., Stacchiola Dario, Liu Ping, Hrbek Jan, Illas Francesc, A New Type of Strong Metal–Support Interaction and the Production of H2 through the Transformation of Water on Pt/CeO2(111) and Pt/CeOx/TiO2(110) Catalysts, 10.1021/ja302070k
  5. Campbell Charles T., Catalyst–support interactions: Electronic perturbations, 10.1038/nchem.1412
  6. Corchado Jose C., Sánchez María L., Aguilar Manuel A., Theoretical Study of the Relative Stability of Rotational Conformers of α and β-d-Glucopyranose in Gas Phase and Aqueous Solution, 10.1021/ja0398767
  7. Cortese Remedios, Duca Dario, Sifontes Herrera Victor Alberto, Murzin Dmitry Yu., l-Arabinose Conformers Adsorption on Ruthenium Surfaces: A DFT Study, 10.1021/jp3026336
  8. Cortese Remedios, Schimmenti Roberto, Armata Nerina, Ferrante Francesco, Prestianni Antonio, Duca Dario, Murzin Dmitry Yu., Investigation of Polyol Adsorption on Ru, Pd, and Re Using vdW Density Functionals, 10.1021/acs.jpcc.5b04007
  9. Cramer Christopher J., Truhlar Donald G., Quantum chemical conformational analysis of glucose in aqueous solution, 10.1021/ja00066a046
  10. Crespo-Quesada Micaela, Yoon Songhak, Jin Mingshang, Prestianni Antonio, Cortese Remedios, Cárdenas-Lizana Fernando, Duca Dario, Weidenkaff Anke, Kiwi-Minsker Lioubov, Shape-Dependence of Pd Nanocrystal Carburization during Acetylene Hydrogenation, 10.1021/jp510347r
  11. Dapprich Stefan, Komáromi István, Byun K.Suzie, Morokuma Keiji, Frisch Michael J, A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives, 10.1016/s0166-1280(98)00475-8
  12. Delidovich Irina V., Taran Oxana P., Matvienko Lyudmila G., Simonov Alexander N., Simakova Irina L., Bobrovskaya Alesya N., Parmon Valentin N., Selective Oxidation of Glucose Over Carbon-supported Pd and Pt Catalysts, 10.1007/s10562-010-0430-0
  13. Duca Dario, Ferrante Francesco, La Manna Gianfranco, Theoretical Study of Palladium Cluster Structures on Carbonaceous Supports, 10.1021/jp067167k
  14. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheese-man JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery JA Jr, Peralta JE, Ogliaro F, Bearpark M, Heyd JJ, Brothers E, Kudin KN, Staroverov VN, Kobayashi R, Normand J, Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi J, Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S, Daniels AD, Farkas Ö, Foresman JB, Ortiz JV, Cioslowski J, Fox DJ (2009) Gaussian09 revision D.01. Gaussian Inc., Wallingford
  15. Gao Nan, Fang Xiaosheng, Synthesis and Development of Graphene–Inorganic Semiconductor Nanocomposites, 10.1021/cr400607y
  16. Hermans Sophie, Diverchy Chantal, Dubois Vincent, Devillers Michel, Pd nanoparticles prepared by grafting of Pd complexes on phenol-functionalized carbon supports for liquid phase catalytic applications, 10.1016/j.apcata.2013.09.029
  17. Kacprzak Katarzyna A., Czekaj Izabela, Mantzaras John, DFT studies of oxidation routes for Pd9 clusters supported on γ-alumina, 10.1039/c2cp40715a
  18. Kim Keun Su, Kingston Christopher T., Hrdina Amy, Jakubinek Michael B., Guan Jingwen, Plunkett Mark, Simard Benoit, Hydrogen-Catalyzed, Pilot-Scale Production of Small-Diameter Boron Nitride Nanotubes and Their Macroscopic Assemblies, 10.1021/nn501661p
  19. Koitz Ralph, Nørskov Jens K., Studt Felix, A systematic study of metal-supported boron nitride materials for the oxygen reduction reaction, 10.1039/c5cp01384d
  20. Lin C, Characterization of Boron-Nitride-Supported Pt Catalysts for the Deep Oxidation of Benzene, 10.1006/jcat.2002.3638
  21. Mager Nathalie, Meyer Nathalie, Léonard Alexandre F., Job Nathalie, Devillers Michel, Hermans Sophie, Functionalization of carbon xerogels for the preparation of palladium supported catalysts applied in sugar transformations, 10.1016/j.apcatb.2013.11.028
  22. Meyer Nathalie, Bekaert Kevin, Pirson Damien, Devillers Michel, Hermans Sophie, Boron nitride as an alternative support of Pd catalysts for the selective oxidation of lactose, 10.1016/j.catcom.2012.10.007
  23. Meyer Nathalie, Pirson Damien, Devillers Michel, Hermans Sophie, Particle size effects in selective oxidation of lactose with Pd/h-BN catalysts, 10.1016/j.apcata.2013.07.045
  24. Meyer Nathalie, Devillers Michel, Hermans Sophie, Boron nitride supported Pd catalysts for the hydrogenation of lactose, 10.1016/j.cattod.2013.11.067
  25. Murzin Dmitry, On the kinetic interpretation of metal-support interaction, 10.1007/bf02073061
  26. Pacchioni Gianfranco, Electronic interactions and charge transfers of metal atoms and clusters on oxide surfaces, 10.1039/c2cp43731g
  27. Postole Georgeta, Gervasini Antonella, Guimon Claude, Auroux Aline, Bonnetot Bernard, Influence of the Preparation Method on the Surface Characteristics and Activity of Boron-Nitride-Supported Noble Metal Catalysts, 10.1021/jp060183x
  28. Prestianni Antonio, Ferrante Francesco, Simakova Olga A., Duca Dario, Murzin Dmitry Yu., Oxygen-Assisted Hydroxymatairesinol Dehydrogenation: A Selective Secondary-Alcohol Oxidation over a Gold Catalyst, 10.1002/chem.201202957
  29. Prestianni Antonio, Crespo-Quesada Micaela, Cortese Remedios, Ferrante Francesco, Kiwi-Minsker Liubov, Duca Dario, Structure Sensitivity of 2-Methyl-3-butyn-2-ol Hydrogenation on Pd: Computational and Experimental Modeling, 10.1021/jp4114859
  30. Prestianni Antonio, Ferrante Francesco, Sulman Esther M., Duca Dario, Density Functional Theory Investigation on the Nucleation and Growth of Small Palladium Clusters on a Hyper-Cross-Linked Polystyrene Matrix, 10.1021/jp506320z
  31. Rappe A. K., Casewit C. J., Colwell K. S., Goddard W. A., Skiff W. M., UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations, 10.1021/ja00051a040
  32. Schimmenti Roberto, Cortese Remedios, Ferrante Francesco, Prestianni Antonio, Duca Dario, Growth of sub-nanometric palladium clusters on boron nitride nanotubes: a DFT study, 10.1039/c5cp06625e
  33. Tauster S. J., Strong metal-support interactions, 10.1021/ar00143a001
  34. Terrones M., Romo-Herrera J.M., Cruz-Silva E., López-Urías F., Muñoz-Sandoval E., Velázquez-Salazar J.J., Terrones H., Bando Y., Golberg D., Pure and doped boron nitride nanotubes, 10.1016/s1369-7021(07)70077-9
  35. Tokarev Anton V., Murzina Elena V., Kuusisto Jyrki, Mikkola Jyri-Pekka, Eränen Kari, Murzin Dmitry Yu., Kinetic behaviour of electrochemical potential in three-phase heterogeneous catalytic oxidation reactions, 10.1016/j.molcata.2006.04.014
  36. Venezia A. M., Duca D., Floriano M. A., Deganello G., Rossi A., Chemical effect on the XPS spectra of the valence band and on O KLL and Pd MNN Auger spectra in pumice-supported catalysts, 10.1002/sia.740180808
  37. Wang Yang-Gang, Yoon Yeohoon, Glezakou Vassiliki-Alexandra, Li Jun, Rousseau Roger, The Role of Reducible Oxide–Metal Cluster Charge Transfer in Catalytic Processes: New Insights on the Catalytic Mechanism of CO Oxidation on Au/TiO2 from ab Initio Molecular Dynamics, 10.1021/ja402063v
  38. Willinger Marc G., Zhang Wei, Bondarchuk Oleksandr, Shaikhutdinov Shamil, Freund Hans-Joachim, Schlögl Robert, A Case of Strong Metal-Support Interactions: Combining Advanced Microscopy and Model Systems to Elucidate the Atomic Structure of Interfaces, 10.1002/anie.201400290
  39. Yanai Takeshi, Tew David P, Handy Nicholas C, A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP), 10.1016/j.cplett.2004.06.011
  40. Zhang Jin, Alexandrova Anastassia N., Double σ-Aromaticity in a Surface-Deposited Cluster: Pd4on TiO2(110), 10.1021/jz300158s
  41. Zhang L. P., Wu P., Sullivan M. B., Hydrogen Adsorption on Rh, Ni, and Pd Functionalized Single-Walled Boron Nitride Nanotubes, 10.1021/jp1078554