Creating single-atom Pt-ceria catalysts by surface step decoration von Dvořák, Filip, Farnesi Camellone, Matteo, Tovt, Andrii, Tran, Nguyen-Dung, Negreiros, Fabio R., Vorokhta, Mykhailo, Skála, Tomáš, Matolínová, Iva, Mysliveček, Josef, Matolín, Vladimír, Fabris, Stefano

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Computational Approaches to the Chemical Conversion of Carbon Dioxide von Cheng, Daojian, Negreiros, Fabio R., Aprà, Edoardo, Fortunelli, Alessandro

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Role of Cluster Morphology in the Dynamics and Reactivity of Subnanometer Pt Clusters Supported on Ceria Surfaces von Negreiros, Fabio R, Fabris, Stefano

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Effects of Thermal Fluctuations on the Hydroxylation and Reduction of Ceria Surfaces by Molecular H2 von Negreiros, Fabio R, Camellone, Matteo Farnesi, Fabris, Stefano

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The unexpected effect of vacancies and wrinkling on the electronic properties of MoS2 layers von Negreiros, Fábio R, Soldano, Germán J, Fuentes, Sergio, Zepeda, Trino, José-Yacamán, Miguel, Mariscal, Marcelo M

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MoS2 Effect on Nickel Electrochemical Activation: An Atomistic/Experimental Approach von Loiacono, Antonella, Gomez, Melisa J, R. Negreiros, Fábio, Olmos-Asar, Jimena A, Mariscal, Marcelo M, Lacconi, Gabriela I, Franceschini, Esteban A

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Bimetallic Ag‐Pt Sub‐nanometer Supported Clusters as Highly Efficient and Robust Oxidation Catalysts von Negreiros, Fabio R., Halder, Avik, Yin, Chunrong, Singh, Akansha, Barcaro, Giovanni, Sementa, Luca, Tyo, Eric C., Pellin, Michael J., Bartling, Stephan, Meiwes‐Broer, Karl‐Heinz, Seifert, Sönke, Sen, Prasenjit, Nigam, Sandeep, Majumder, Chiranjib, Fukui, Nobuyuki, Yasumatsu, Hisato, Vajda, Stefan, Fortunelli, Alessandro

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Alumina-supported sub-nanometer Pt10 clusters: amorphization and role of the support material in a highly active CO oxidation catalyst von Yin, Chunrong, Negreiros, Fabio R, Barcaro, Giovanni, Beniya, Atsushi, Sementa, Luca, Tyo, Eric C, Bartling, Stephan, Meiwes-Broer, Karl-Heinz, Seifert, Sonke, Hirata, Hirohito, Isomura, Noritake, Nigam, Sandeep, Majumder, Chiranjib, Watanabe, Yoshihide, tunelli, Alessandro, Vajda, Stefan

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Metal Tungstates at the Ultimate Two-Dimensional Limit: Fabrication of a CuWO4 Nanophase von Denk, Martin, Kuhness, David, Wagner, Margareta, Surnev, Svetlozar, Negreiros, Fabio R, Sementa, Luca, Barcaro, Giovanni, Vobornik, Ivana, Fortunelli, Alessandro, Netzer, Falko P

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Interface Effects on the Magnetism of CoPt-Supported Nanostructures von Barcaro, Giovanni, Sementa, Luca, Negreiros, Fabio R, Ferrando, Riccardo, Fortunelli, Alessandro

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Interaction of Na with 2D WO3 and MoO3 Layers on Pd(100): From Doping to 2D Bronze Formation von Mohammadi, Malihe, Negreiros, Fabio R, Radlinger, Thomas, Edelmayer, Philip, Netzer, Falko P, Surnev, Svetlozar

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Reactivity of atomically dispersed Pt(2+) species towards H2: model Pt-CeO2 fuel cell catalyst von Lykhach, Yaroslava, Figueroba, Alberto, Camellone, Matteo Farnesi, Neitzel, Armin, Skála, Tomáš, Negreiros, Fabio R, Vorokhta, Mykhailo, Tsud, Nataliya, Prince, Kevin C, Fabris, Stefano, Neyman, Konstantin M, Matolín, Vladimír, Libuda, Jörg

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Interaction of Water with the Gypsum (010) Surface: Structure and Dynamics from Nonlinear Vibrational Spectroscopy and Ab Initio Molecular Dynamics von Santos, Jaciara C. C, Negreiros, Fabio R, Pedroza, Luana S, Dalpian, Gustavo M, Miranda, Paulo B

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Effect of Charges on the Interaction of a Water Molecule with the Fe2O3(0001) Surface von Negreiros, Fabio R, Pedroza, Luana S, Dalpian, Gustavo M

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The atomistic origin of the extraordinary oxygen reduction activity of Pt3Ni7 fuel cell catalysts von tunelli, Alessandro, Goddard, William A, Sementa, Luca, Barcaro, Giovanni, Negreiros, Fabio R, Jaramillo-Botero, Andrés

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Ligand/cluster/support catalytic complexes in heterogeneous ultrananocatalysis: NO oxidation on Ag3/MgO(100) von Sementa, Luca, Barcaro, Giovanni, Negreiros, Fabio R, Fortunelli, Alessandro

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A first-principles theoretical approach to heterogeneous nanocatalysis von Negreiros, Fabio R, Apr, Edoardo, Barcaro, Giovanni, Sementa, Luca, Vajda, Stefan, Fortunelli, Alessandro

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Structures of gas-phase Ag-Pd nanoclusters: A computational study von Negreiros, Fabio R., Kuntová, Zdenka, Barcaro, Giovanni, Rossi, Giulia, Ferrando, Riccardo, Fortunelli, Alessandro

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Concepts in theoretical heterogeneous ultrananocatalysis von Negreiros, Fabio R., Barcaro, Giovanni, Sementa, Luca, Fortunelli, Alessandro

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Modelling the metal-on-top effect for Pd clusters on the MgO{100} substrate von Atanasov, Ivailo, Barcaro, Giovanni, Negreiros, Fabio R, Fortunelli, Alessandro, Johnston, Roy L

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