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List of works by Javier Fernández Sanz

A first principles study of Pd deposition on the TiO 2 (1 1 0) surface

A theoretical insight into the catalytic effect of a mixed-metal oxide at the nanometer level: the case of the highly active metal/CeOx/TiO2(110) catalysts

scientific article

Adsorption of Prototypical Asphaltenes on Silica: First-Principles DFT Simulations Including Dispersion Corrections.

scientific article published on 31 July 2017

Ag2S Quantum Dot-Sensitized Solar Cells by First Principles: The Effect of Capping Ligands and Linkers.

scientific article

Atomistic simulations of Cu deposition on the α-Al2O3 (0001) surface

Cell types in the main excretory duct of the submaxillary gland of the rat

scientific article published on March 1, 1992

Changing the physical and chemical properties of titanium oxynitridesTiN1−xOxby changing the composition

article

Cu, Ag and Au atoms deposited on the α-Al2O3(0001) surface: a comparative density functional study

Density Functional Theory Study of the Interaction of Cu, Ag, and Au Atoms with the Regular CeO2 (111) Surface

Effect of on-site Coulomb repulsion termUon the band-gap states of the reduced rutile (110)TiO2surface

scholarly article in Physical Review B, vol. 77 no. 4, January 2008

Effects of the capping ligands, linkers and oxide surface on the electron injection mechanism of copper sulfide quantum dot-sensitized solar cells

scientific article

First Principles Study of Cu Atoms Deposited on the α-Al2O3(0001) Surface

article published in 2002

First principles simulations of Cu and Au deposition on α-Al2O3 (0001) surface

First-principles molecular dynamics simulations of the H2O / Cu(111) interface ⬇️

scientific article published on October 18, 2011

First-principles study of ionic oxygen mobility of Sr-containing LaAlO3perovskite

article

From periodic DFT calculations to classical molecular dynamics simulations

article

Graphene Translucency and Interfacial Interactions in the Gold/Graphene/SiC System

scientific article published on 29 June 2018

Highly active copper-ceria and copper-ceria-titania catalysts for methanol synthesis from CO2

scientific article published in Science

Inverse Oxide/Metal Catalysts in Fundamental Studies and Practical Applications: A Perspective of Recent Developments

scientific article published on 28 June 2016

Mechanism of Cu Deposition on theα−Al2O3(0001) Surface

scientific article published on 11 January 2005

Molecular Dynamics Simulations of Pd Deposition on the α-Al2O3(0001) Surface

article

Nitrogen/gold codoping of the TiO2(101) anatase surface. A theoretical study based on DFT calculations

scientific article published on 13 May 2011

On the difficulties of present theoretical models to predict the oxidation state of atomic Au adsorbed on regular sites of CeO[sub 2](111)

article

Potassium and Water Coadsorption on TiO2(110): OH-Induced Anchoring of Potassium and the Generation of Single-Site Catalysts

scientific article published on 15 September 2016

Redox properties of gold-substituted zirconia surfaces

Sonogashira cross-coupling and homocoupling on a silver surface: chlorobenzene and phenylacetylene on Ag(100)

scientific article published on 05 January 2015

Supramolecular Interactions as Determining Factors of the Geometry of Metallic Building Blocks: Tetracarboxylate Dimanganese Species

scientific article published on 01 May 2005

Theoretical Approach to Ionic Conductivity in PhosphorusOxynitride Compounds

Theoretical Investigation of the Deposition of Cu, Ag, and Au Atoms on the ZrO2(111) Surface

Understanding the Photocatalytic Properties of Pt/CeOx /TiO2 : Structural Effects on Electronic and Optical Properties

scientific article published on 07 June 2019

Unravelling the Origin of the High-Catalytic Activity of Supported Au: A Density-Functional Theory-Based Interpretation

scientific article published on 01 December 2006

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