Dealumination mechanisms of zeolites and extra-framework aluminum confinement von Silaghi, Marius-Christian, Chizallet, Céline, Sauer, Joachim, Raybaud, Pascal

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Tuning the Metal-Support Interaction by Structural Recognition of Cobalt-Based Catalyst Precursors von Larmier, Kim, Chizallet, Céline, Raybaud, Pascal

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H2-Induced Reconstruction of Supported Pt Clusters: Metal-Support Interaction versus Surface Hydride von Mager-Maury, Christophe, Bonnard, Gaëtan, Chizallet, Céline, Sautet, Philippe, Raybaud, Pascal

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Regioselectivity of Al–O Bond Hydrolysis during Zeolites Dealumination Unified by Brønsted–Evans–Polanyi Relationship von Silaghi, Marius-Christian, Chizallet, Céline, Petracovschi, Elena, Kerber, Torsten, Sauer, Joachim, Raybaud, Pascal

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Brønsted acidity of amorphous silica–alumina: The molecular rules of proton transfer von Leydier, Fabien, Chizallet, Céline, Chaumonnot, Alexandra, Digne, Mathieu, Soyer, Emmanuel, Quoineaud, Anne-Agathe, Costa, Dominique, Raybaud, Pascal

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Multiscale Modeling as a Tool for the Prediction of Catalytic Performances: The Case of n‑Heptane Hydroconversion in a Large-Pore Zeolite von Schweitzer, Jean-Marc, Rey, Jérôme, Bignaud, Charles, Bučko, Tomáš, Raybaud, Pascal, Moscovici-Mirande, Maïlys, Portejoie, Frédéric, James, Christophe, Bouchy, Christophe, Chizallet, Céline

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Competitive Deposition of C and O Species on Cobalt Surface in Fischer–Tropsch Synthesis Conditions: A Plausible Origin of Deactivation von Corral Valero, Manuel, Raybaud, Pascal

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Kinetic interpretation of catalytic activity patterns based on theoretical chemical descriptors von TOULHOAT, Hervé, RAYBAUD, Pascal

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Shape and Edge Sites Modifications of MoS2 Catalytic Nanoparticles Induced by Working Conditions: A Theoretical Study von Schweiger, Hannes, Raybaud, Pascal, Kresse, Georg, Toulhoat, Hervé

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Improved promoter effect in NiWS catalysts through a molecular approach and an optimized Ni edge decoration von Alphazan, Thibault, Bonduelle-Skrzypczak, Audrey, Legens, Christèle, Boudene, Zoubeyr, Taleb, Anne-Lise, Gay, Anne-Sophie, Ersen, Ovidiu, Copéret, Christophe, Raybaud, Pascal

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Tuning the Magnetic Properties of MoS2 Single Nanolayers by 3d Metals Edge Doping von Saab, Mohamad, Raybaud, Pascal

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Highly Active Nonpromoted Hydrotreating Catalysts through the Controlled Growth of a Supported Hexagonal WS2 Phase von Alphazan, Thibault, Bonduelle-Skrzypczak, Audrey, Legens, Christèle, Gay, Anne-Sophie, Boudene, Zoubeyr, Girleanu, Maria, Ersen, Ovidiu, Copéret, Christophe, Raybaud, Pascal

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Potassium Silanide (KSiH3): A Reversible Hydrogen Storage Material von Chotard, Jean-Noël, Tang, Wan Si, Raybaud, Pascal, Janot, Raphaël

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Structure and Stability of Aluminum Hydroxides:  A Theoretical Study von Digne, Mathieu, Sautet, Philippe, Raybaud, Pascal, Toulhoat, Hervé, Artacho, Emilio

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2D MoO3-xSx/MoS2 van der Waals Assembly: A Tunable Heterojunction with Attractive Properties for Photocatalysis von Shahrokhi, Masoud, Raybaud, Pascal, Le Bahers, Tangui

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Computational chemistry approaches for the preparation of supported catalysts: Progress and challenges von Valero, Manuel Corral, Raybaud, Pascal

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Revisiting γ-alumina surface models through the topotactic transformation of boehmite surfaces von Pigeon, Thomas, Chizallet, Céline, Raybaud, Pascal

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Tailoring the optoelectronic properties and dielectric profiles of few-layer S-doped MoO 3 and O-doped MoS 2 nanosheets: a first-principles study von Shahrokhi, Masoud, Le Bahers, Tangui, Raybaud, Pascal

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Tailoring the optoelectronic properties and dielectric profiles of few-layer S-doped MoO and O-doped MoS nanosheets: a first-principles study von Shahrokhi, Masoud, Le Bahers, Tangui, Raybaud, Pascal

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Dehydrogenation mechanisms of methyl-cyclohexane on γ-Al2O3 supported Pt13: Impact of cluster ductility von Zhao, Wei, Chizallet, Céline, Sautet, Philippe, Raybaud, Pascal

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