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  • Article dans une revue

Surface Science Approaches for the Preparation of Alumina-Supported Hydrotreating Catalysts

Cédric Bara, Elodie Devers, Mathieu Digne, Anne-Félicie Lamic-Humblot, Gerhard D. Pirngruber, Xavier Carrier

ChemCatChem, 2015, 7 (21), pp.3422-3440. ⟨10.1002/cctc.201500436⟩. ⟨hal-01263797⟩

  • Article dans une revue

Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments

Albert Rimola, Dominique Costa, Mariona Sodupe, Jean-François Lambert, Piero Ugliengo

Chemical Reviews, 2013, 113 (6), pp.4216-4313. ⟨10.1021/cr3003054⟩. ⟨hal-00836288⟩

  • Article dans une revue

Study of the Structure of OH Groups on MgO by 1D and 2D 1 H MAS NMR Combined with DFT Cluster Calculations

Céline Chizallet, Guylène Costentin, Helene Lauron-Pernot, Michel Che, Christian Bonhomme, Jocelyne Maquet, Françoise Delbecq, Philippe Sautet

Journal of Physical Chemistry C, 2007, 111 (49), pp.18279 - 18287. ⟨10.1021/jp077089g⟩. ⟨hal-01896667⟩

  • Article dans une revue

Role of Hydroxyl Groups in the Basic Reactivity of MgO : a Theoretical and Experimental Study

Céline Chizallet, Guylène Costentin, Hélène Lauron-Pernot, Jean Marc Krafft, Philippe Bazin, Jacques Saussey, Françoise Delbecq, Philippe Sautet, Michel Che

Clean (i.e., carbonate- and hydroxyl-free) and hydroxylated MgO surfaces of various morphologies were used to study the correlation between thermodynamic Brønsted basicity (evaluated by the deprotonation of methanol and propyne followed by FTIR) and basic reactivity (evaluated by the conversion of…

Oil & Gas Science and Technology - Revue d'IFP Energies nouvelles, 2006, 61 (4), pp.479-488. ⟨10.2516/ogst:2006023a⟩. ⟨hal-00112158⟩

  • Article dans une revue

Quantitative Investigation of MgO Bronsted Basicity: DFT, IR, and Calorimetry Study of Methanol Adsorption

Hugo Petitjean, Konstantin Tarasov, Francoise Delbecq, Philippe Sautet, Jean-Marc Krafft, Philippe Bazin, Maria Cristina Paganini, Elio Giamello, Michel Che, Helene Lauron-Pernot, Guylene Costentin

The adsorption geometries, energies, and vibrational frequencies of methanol on MgO defective surfaces have been calcd. by periodic DFT simulations. The results are very comparable with those obtained with water and are also in very good accordance with microcalorimetry and IR expts. At low…

Journal of Physical Chemistry C, 2010, 114 (7), pp.3008-3016. ⟨10.1021/jp909354p⟩. ⟨hal-00604791⟩

  • Chapitre d'ouvrage

Investigation of different preparation methods of PtIr, PtIrSn and PtIrGe catalysts

Christophe Poupin, Camille La Fontaine, Laurence Pirault-Roy

Studies in Surface Science and Catalysis, pp.467-470, 2010, ⟨10.1016/S0167-2991(10)75086-2⟩. ⟨hal-02497268⟩