Harnessing the unusually strong improvement of thermoelectric performance of AgInTe2 with nanostructuring von Plata, Jose J, Blancas, Ernesto J, Márquez, Antonio M, Posligua, Victor, Javier Fdez Sanz, Grau-Crespo, Ricardo

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Water-Gas Shift Reaction on a Highly Active Inverse CeOx/Cu(111) Catalyst: Unique Role of Ceria Nanoparticles von Rodriguez, José A, Graciani, Jesús, Evans, Jaime, Park, Joon B, Yang, Fan, Stacchiola, Dario, Senanayake, Sanjaya D, Ma, Shuguo, Pérez, Manuel, Liu, Ping, Sanz, Javier Fdez, Hrbek, Jan

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Unraveling the role of chemical composition in the lattice thermal conductivity of oxychalcogenides as thermoelectric materials von Blancas, Ernesto J, Plata, Jose J, Santana, Julia, Lemus-Prieto, Felipe, Márquez, Antonio M, Sanz, Javier Fdez

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High Water−Gas Shift Activity in TiO2(110) Supported Cu and Au Nanoparticles: Role of the Oxide and Metal Particle Size von Rodríguez, José A, Evans, Jaime, Graciani, Jesús, Park, Joon-Bum, Liu, Ping, Hrbek, Jan, Sanz, Javier Fdez

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Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters von Sánchez-de-Armas, Rocío, Oviedo López, Jaime, A. San-Miguel, Miguel, Sanz, Javier Fdez, Ordejón, Pablo, Pruneda, Miguel

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Direct vs Indirect Mechanisms for Electron Injection in Dye-Sensitized Solar Cells von Sánchez-de-Armas, Rocío, Oviedo, Jaime, San Miguel, Miguel Ángel, Sanz, Javier Fdez

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Transport Properties in the CeO2–x (111) Surface: From Charge Distribution to Ion-Electron Collaborative Migration von Plata, José J, Márquez, Antonio M, Sanz, Javier Fdez

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Photo-sensitizing thin-film ferroelectric oxides using materials databases and high-throughput calculations von Plata, Jose J, Suárez, Javier Amaya, Cuesta-López, Santiago, Márquez, Antonio M, Sanz, Javier Fdez

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Molecular dynamics simulations of the role of salinity and temperature on the hydrocarbon/water interfacial tension von Remesal, Elena R., Suárez, Javier Amaya, Márquez, Antonio M., Sanz, Javier Fdez, Rincón, Cristina, Guitián, José

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First-principles study of nickel complex with 1,3-dithiole-2-thione-4,5-dithiolate ligands as model photosensitizers von Paes, L. W. C., Suárez, J. Amaya, Márquez, A. M., Sanz, Javier Fdez

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Electronic structure and adsorption geometry of Pt and Pd metal complexes with 1,3-dithiole-2-thione-4,5-dithiolate ligand on TiO2(101) surface from first-principles calculations von Paes, Lilian W. C., Suarez, J. Amaya, Márquez, A. M., Bernardo da Cruz, A. Gerson, Sanz, Javier Fdez

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Carbon Doping of the TiO2 (110) Rutile Surface. A Theoretical Study Based on DFT von Graciani, Jesús, Ortega, Yanaris, Fdez. Sanz, Javier

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Nitrogen/gold codoping of the TiO2(101) anatase surface. A theoretical study based on DFT calculations von ORTEGA, Yanaris, HERNANDEZ, Norge Cruz, MENENDEZ-PROUPIN, Eduardo, GRACIANI, Jesus, SANZ, Javier Fdez

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CO Oxidation on Inverse CeOx/Cu(111) Catalysts: High Catalytic Activity and Ceria-Promoted Dissociation of O2 von F Yang, J Graciani, J Evans, P Liu, J Hrbek, J Fdez. Sanz, J Rodriguez

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Coumarin derivatives for dye sensitized solar cells: a TD-DFT study von Sánchez-de-Armas, Rocío, San Miguel, Miguel Ángel, Oviedo, Jaime, Sanz, Javier Fdez

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Effect of dispersion correction on the Au(1 1 1)-H2O interface: a first-principles study von Nadler, Roger, Sanz, Javier Fdez

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Catalytic activity of PtCu intermetallic compound for CO oxidation: A theoretical insight von Amaya Suárez, Javier, Plata, José J., Márquez, Antonio M., Fdez. Sanz, Javier

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Designing a new generation of catalysts: Water gas shift reaction example von Graciani, Jesus, Sanz, Javier Fdez

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Gold, Copper, and Platinum Nanoparticles Dispersed on CeOx/TiO2(110) Surfaces: High Water-Gas Shift Activity and the Nature of the Mixed-Metal Oxide at the Nanometer Level von Park, J., Graciani, J, Evans, J, Stacchiola, D, Senanayake, S, Barrio, L, Liu, P, Fdez. Sanz, J, Hrbek, J, Rodriguez, J

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Conversion of CO2 to Methanol and Ethanol on Pt/CeOx/TiO2(110): Enabling Role of Water in C–C Bond Formation von Graciani, Jesús, Grinter, David C., Ramírez, Pedro J., Palomino, Robert M., Xu, Fang, Waluyo, Iradwikanari, Stacchiola, Dario, Fdez Sanz, Javier, Senanayake, Sanjaya D., Rodriguez, José A.

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