Javier Amaya Suarez

5º Año Postdoctoral Excelencia
jamaya1@us.es
Área de conocimiento: Química Física
Departamento: Química Física
Grupo: QUÍMICA TEÓRICA (FQM-132)
Tipo Año Título Fuente
Artículo2021 Catalytic activity of PtCu intermetallic compound for CO oxidation: a theoretical insight CATALYSIS TODAY
Artículo2019 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 THEORETICAL CHEMISTRY ACCOUNTS
Artículo2019 Photo-sensitizing thin-film ferroelectric oxides using materials databases and high-throughput calculations JOURNAL OF MATERIALS CHEMISTRY A
Artículo2018 Adsorption of Prototypical Asphaltenes on Silica: First-Principles DFT Simulations Including Dispersion Corrections JOURNAL OF PHYSICAL CHEMISTRY B
Artículo2018 Improving the activity of gold nanoparticles for the water-gas shift reaction using TiO2-Y2O3: an example of catalyst design PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Artículo2017 Ag2S Quantum Dot-Sensitized Solar Cells by First Principles: The Effect of Capping Ligands and Linkers JOURNAL OF PHYSICAL CHEMISTRY A
Artículo2017 Effects of the capping ligands, linkers and oxide surface on the electron injection mechanism of copper sulfide quantum dot-sensitized solar cells PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Artículo2017 First-principles study of nickel complex with 1,3-dithiole-2-thione-4,5-dithiolate ligands as model photosensitizers THEORETICAL CHEMISTRY ACCOUNTS
Artículo2017 Molecular dynamics simulations of the role of salinity and temperature on the hydrocarbon/water interfacial tension THEORETICAL CHEMISTRY ACCOUNTS
Artículo2016 Adsorption of prototypical amino acids on silica: Influence of the pre-adsorbed water multilayer SURFACE SCIENCE
Artículo2016 Structural, electronic and optical properties of copper, silver and gold sulfide: a DFT study THEORETICAL CHEMISTRY ACCOUNTS

Proyectos de Investigación

Fecha de inicio Fecha de fin Rol Denominación Agencia financiadora
01/06/2020 31/05/2023 Investigador/a Diseño y Modelización Computacional de Materiales Termoeléctricos Basados en Calcogenuros y Oxicalcogenuros Metálicos (PID2019-106871GB-I00) Ministerio de Ciencia, Innovación y Universidades (Nacional)