Harnessing the unusually strong improvement of thermoelectric performance of AgInTe2 with nanostructuring
Plata, Jose J, Blancas, Ernesto J, Márquez, Antonio M, Posligua, Victor, Javier Fdez Sanz, Grau-Crespo, Ricardo
Published in Journal of materials chemistry. A, Materials for energy and sustainability (08.08.2023)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (08.08.2023)
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Journal Article
Unraveling the role of chemical composition in the lattice thermal conductivity of oxychalcogenides as thermoelectric materials
Blancas, Ernesto J, Plata, Jose J, Santana, Julia, Lemus-Prieto, Felipe, Márquez, Antonio M, Sanz, Javier Fdez
Published in Journal of materials chemistry. A, Materials for energy and sustainability (27.09.2022)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (27.09.2022)
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Journal Article
Water-Gas Shift Reaction on a Highly Active Inverse CeOx/Cu(111) Catalyst: Unique Role of Ceria Nanoparticles
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
Published in Angewandte Chemie (International ed.) (01.01.2009)
Published in Angewandte Chemie (International ed.) (01.01.2009)
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Journal Article
High Water−Gas Shift Activity in TiO2(110) Supported Cu and Au Nanoparticles: Role of the Oxide and Metal Particle Size
Rodríguez, José A, Evans, Jaime, Graciani, Jesús, Park, Joon-Bum, Liu, Ping, Hrbek, Jan, Sanz, Javier Fdez
Published in Journal of physical chemistry. C (30.04.2009)
Published in Journal of physical chemistry. C (30.04.2009)
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Journal Article
Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters
Sánchez-de-Armas, Rocío, Oviedo López, Jaime, A. San-Miguel, Miguel, Sanz, Javier Fdez, Ordejón, Pablo, Pruneda, Miguel
Published in Journal of chemical theory and computation (14.09.2010)
Published in Journal of chemical theory and computation (14.09.2010)
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Journal Article
Photo-sensitizing thin-film ferroelectric oxides using materials databases and high-throughput calculations
Plata, Jose J, Suárez, Javier Amaya, Cuesta-López, Santiago, Márquez, Antonio M, Sanz, Javier Fdez
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2019)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2019)
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Journal Article
Molecular dynamics simulations of the role of salinity and temperature on the hydrocarbon/water interfacial tension
Remesal, Elena R., Suárez, Javier Amaya, Márquez, Antonio M., Sanz, Javier Fdez, Rincón, Cristina, Guitián, José
Published in Theoretical chemistry accounts (01.06.2017)
Published in Theoretical chemistry accounts (01.06.2017)
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Journal Article
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
Paes, Lilian W. C., Suarez, J. Amaya, Márquez, A. M., Bernardo da Cruz, A. Gerson, Sanz, Javier Fdez
Published in Theoretical chemistry accounts (01.07.2019)
Published in Theoretical chemistry accounts (01.07.2019)
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Journal Article
Carbon Doping of the TiO2 (110) Rutile Surface. A Theoretical Study Based on DFT
Graciani, Jesús, Ortega, Yanaris, Fdez. Sanz, Javier
Published in Chemistry of materials (28.04.2009)
Published in Chemistry of materials (28.04.2009)
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Journal Article
Nitrogen/gold codoping of the TiO2(101) anatase surface. A theoretical study based on DFT calculations
ORTEGA, Yanaris, HERNANDEZ, Norge Cruz, MENENDEZ-PROUPIN, Eduardo, GRACIANI, Jesus, SANZ, Javier Fdez
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
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Journal Article
Coumarin derivatives for dye sensitized solar cells: a TD-DFT study
Sánchez-de-Armas, Rocío, San Miguel, Miguel Ángel, Oviedo, Jaime, Sanz, Javier Fdez
Published in Physical chemistry chemical physics : PCCP (07.01.2012)
Published in Physical chemistry chemical physics : PCCP (07.01.2012)
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Journal Article
Gold Nanoparticles on Yttrium Modified Titania: Support Properties and Catalytic Activity
Plata, José J., Márquez, Antonio M., Sanz, Javier Fdez, Avellaneda, Rafael Sánchez, Romero-Sarria, Francisca, Domínguez, María Isabel, Centeno, Miguel Angel, Odriozola, José Antonio
Published in Topics in catalysis (01.03.2011)
Published in Topics in catalysis (01.03.2011)
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Journal Article
Effect of interface structure on the Ru on HfO2 work function
Mukhopadhyay, Atashi B., Sanz, Javier Fdez, Musgrave, Charles B.
Published in Journal of materials science (01.09.2010)
Published in Journal of materials science (01.09.2010)
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Journal Article
Catalytic activity of PtCu intermetallic compound for CO oxidation: A theoretical insight
Amaya Suárez, Javier, Plata, José J., Márquez, Antonio M., Fdez. Sanz, Javier
Published in Catalysis today (01.01.2022)
Published in Catalysis today (01.01.2022)
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Journal Article
Water‐Gas Shift Reaction on a Highly Active Inverse CeO x /Cu(111) Catalyst: Unique Role of Ceria Nanoparticles
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
Published in Angewandte Chemie International Edition (12.10.2009)
Published in Angewandte Chemie International Edition (12.10.2009)
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Journal Article