- idUS
- Listar por autor
Listar por autor "Fernández Sanz, Javier"
Mostrando ítems 21-40 de 69
-
Tesis Doctoral
Estructura electrónica y molecular de carbenos y estannilenos de zinc: fototransposición carbeno-carbino de zinc
San Miguel Barrera, Miguel Ángel (1994)La química de los carbenos metálicos constituye un interesante campo de estudio dentro de la química organometálica debido ...
-
Tesis Doctoral
Estudio teórico y experimental de la estructura electrónica de algunos carbonilos de metales de transición y análisis del enlace que establecen con metales representativos del grupo 14
Márquez Cruz, Antonio Marcial (1991-02-18)La fotoquímica de los carbonilos de metales de transición y derivados es un campo en el que se ha venido desarrollando ...
-
Artículo
First Principles Study of Nickel Complex with 1,3-dithiole-2-thione-4,5-dithiolate Ligands as Model Photosensitizers
Paes, L. W. C; Amaya Suárez, Javier; Márquez Cruz, Antonio Marcial; Fernández Sanz, Javier (Springer Verlag, 2017)Dye-sensitized solar cells (DSSCs) have become in one important and promising technology in the photovoltaic field. The ...
-
Artículo
First-principles calculations of structural and electronic properties of monoclinic hafnia surfaces
Mukhopadhyay, Atashi B.; Fernández Sanz, Javier; Musgrave, Charles B. (American Physical Society, 2006)We have carried out a systematic theoretical study of the surfaces of monoclinic hafnia (Hf O2) using plane waves and ...
-
Artículo
Gold Nanoparticles on Yttrium Modified Titania: Support Properties and Catalytic Activity
Plata Ramos, José Javier; Márquez Cruz, Antonio Marcial; Fernández Sanz, Javier; Sánchez Avellaneda, Rafael; Romero Sarria, Francisca; Domínguez Leal, María Isabel; Centeno Gallego, Miguel Ángel; Odriozola Gordón, José Antonio (Baltzer Science Publishers, 2011)A series of titanium oxide catalysts modified with yttrium has been prepared by sol¿gel method and their structural ...
-
Artículo
Graphenes as Efficient Metal-Free Fenton Catalysts
Espinosa, Juan C.; Navalõn, Sergio; Primo, Ana; Moral, Mónica; Fernández Sanz, Javier; Álvaro, Mercedes; García, Hermenegildo (Wiley-Blackwell, 2015)Reduced graphene oxide exhibits high activity as Fenton catalyst with HO. radical generation efficiency over 82 % and ...
-
Artículo
Harnessing the unusually strong improvement of thermoelectric performance of AgInTe2 with nanostructuring
Plata Ramos, José Javier; Blancas, Ernesto J.; Márquez Cruz, Antonio Marcial; Posligua, Víctor; Fernández Sanz, Javier; Grau Crespo, Ricardo (Royal Society of Chemistry, 2023-07-20)Nanostructuring is a well-established approach to improve the thermoelectric behavior of materials. However, its effectiveness ...
-
Artículo
High catalytic activity of Au/CeO x/TiO 2(110) controlled by the nature of the mixed-metal oxide at the nanometer level
Park, Joon B.; Graciani Alonso, Jesús; Evans, Jaime; Stacchiola, Dario; Ma, Shuguo; Liu, Ping; Nambu, Akira; Fernández Sanz, Javier; Hrbek, Jan; Rodríguez, José A. (National Academy of Sciences, 2009)Mixed-metal oxides play a very important role in many areas of chemistry, physics, materials science, and geochemistry. ...
-
Artículo
High-Throughput Prediction of the Thermal and Electronic Transport Properties of Large Physical and Chemical Spaces Accelerated by Machine Learning: Charting the ZT of Binary Skutterudites
Santana Andreo, Julia; Márquez Cruz, Antonio Marcial; Plata Ramos, José Javier; Blancas, Ernesto J.; González Sánchez, José Luis; Fernández Sanz, Javier; Nath, Pinku (American Chemical Society, 2024)Thermal and electronic transport properties are the keys to many technological applications of materials. Thermoelectric, ...
-
Artículo
High-throughput screening of the thermoelastic properties of ultrahigh-temperature ceramics
Nath, Pinku; Plata Ramos, José Javier; Santana Andreo, Julia; Blancas, Ernesto J.; Márquez Cruz, Antonio Marcial; Fernández Sanz, Javier (American Chemical Society, 2021)Ultrahigh-temperature ceramics (UHTCs) are a group of materials with high technological interest because of their applications ...
-
Artículo
Improving the activity of gold nanoparticles for the water-gas shift reaction using TiO2–Y2O3: an example of catalyst design
Plata Ramos, José Javier; Romero Sarria, Francisca; Amaya Suárez, Javier; Márquez Cruz, Antonio Marcial; Laguna Espitia, Oscar Hernando; Odriozola Gordón, José Antonio; Fernández Sanz, Javier (The Royal Society of Chemistry, 2018)In the last ten years, there has been an acceleration in the pace at which new catalysts for the watergas shift reaction ...
-
Artículo
Influence of temperature on the interaction between Pd clusters and the TiO2 (110) surface
San Miguel Barrera, Miguel Ángel; Oviedo López, Jaime; Fernández Sanz, Javier (American Physical Review, 2007-08-06)The behavior of a Pd nanocluster on the rutile TiO2 (110) surface has been analyzed by extensive first principles molecular ...
-
Artículo
Interaction of oxygen with TiN (001): N↔O exchange and oxidation process
Graciani Alonso, Jesús; Fernández Sanz, Javier; Asaki, T.; Nakamura, K.; Rodríguez, José A. (AIP Publishing, 2007-06)This work presents a detailed experimental and theoretical study of the oxidation of TiN(001) using a combination of ...
-
Artículo
Interaction of Pd with α-Al2O3(0001): A case study of modeling the metal-oxide interface on complex substrates
Gomes, José R. B.; Illas, Francesc; Cruz Hernández, Norge; Márquez Cruz, Antonio Marcial; Fernández Sanz, Javier (American Physical Society, 2002)The Pd/α-Al2O3(0001) interface at low Pd coverage has been studied by a variety of theoretical methods and models at this ...
-
Artículo
Interaction potentials from periodic density-functional theory calculations: Molecular-dynamics simulations of Au clusters deposited on the TiN (001) surface
Cruz Hernández, Norge; Fernández Sanz, Javier (AIP Publishing, 2005-12)Molecular-dynamics simulations of gold particles deposited on a TiN 001 surface have been accounted for through classical ...
-
Artículo
Inverse Oxide/Metal Catalysts in Fundamental Studies and Practical Applications: A Perspective of Recent Developments
Rodriguez, José A.; Liu, Ping; Graciani Alonso, Jesús; Senanayake, Sanjaya D.; Grinter, David C.; Stacchiola, Dario J.; Hrbek, Jan; Fernández Sanz, Javier (American Chemical Society, 2016)Inverse oxide/metal catalysts have shown to be excellent systems for studying the role of the oxide and oxide-metal interface ...
-
Artículo
Local character of magnetic coupling in ionic solids
Moreira, I. P. R.; Illas, Francesc; Jiménez Calzado, Carmen; Fernández Sanz, Javier; Malrieu, J.P.; Ben Amor, Nadia; Maynau, Daniel (American Physical Society, 1999)Magnetic interactions in ionic solids are studied using parameter-free methods designed to provide accurate energy ...
-
Artículo
Mechanism of Cu deposition on the α−Al2O3 (0001) surface
Fernández Sanz, Javier; Cruz Hernández, Norge (American Physical Society, 2005-01-14)The growth mechanism of the Cu/α−Al2O3 (0001) interface is studied by first-principles molecular-dynamics simulations as ...
-
Tesina
Métodos Ab Initio aplicados al cálculo del elemento matriz de transferencia eléctrónica en compuestos de valencia mixta Cu (I)-Cu(II)
Jiménez Calzado, Carmen (1995)La omnipresencia e importancia de las reacciones de transferencia electrónica que se dan en la naturaleza han motivado que ...
-
Tesis Doctoral
Modificación de las propiedades de los óxidos de Titanio y de Cerio mediante dopado con carbono y nitrógeno. Influencia sobre la interacción metal-soporte
Ortega García, Yanaris (2012)En nuestro trabajo nos centramos en el estudio de dos familias de óxidos con propiedades de gran interés fotocatalítico, ...