Jose Javier Plata Ramos

Profesor Contratado Doctor
jplata@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
Artículo2021 Connecting experimental synthetic variables with the microstructure and electronic properties of doped ferroelectric perovskites for solar cell applications using high-throughput frameworks ACTA MATERIALIA
Artículo2021 High-throughput screening of the thermoelastic properties of ultrahigh-temperature ceramics. ACS APPLIED MATERIALS & INTERFACES
Ponencia2020 Aprendizaje en línea: aceptación de la plataforma collaborate como herramienta de enseñanzaaprendizaje en el ámbito universitario Edunovatic 2020. Conference Proceedings: 5th Virtual International Conference on Education, Innovation and ICT, December 10 - 11, 2020
Ponencia2020 Curso de Verano de Modelización Molecular para alumnos de Ciencias Edunovatic 2020. Conference Proceedings: 5th Virtual International Conference on Education, Innovation and ICT, December 10 - 11, 2020
Artículo2019 Photo-sensitizing thin-film ferroelectric oxides using materials databases and high-throughput calculations JOURNAL OF MATERIALS CHEMISTRY A
Artículo2019 Understanding the Photocatalytic Properties of Pt/CeOx/TiO2: Structural Effects on Electronic and Optical Properties CHEMPHYSCHEM
Artículo2018 Analysis of the variables that modify the robustness of Ti-SiO2 catalysts for alkene epoxidation: Role of silylation, deactivation and potential solutions MOLECULAR CATALYSIS
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
Artículo2018 Spinodal Superlattices of Topological Insulators CHEMISTRY OF MATERIALS
Artículo2017 Ag2S Quantum Dot-Sensitized Solar Cells by First Principles: The Effect of Capping Ligands and Linkers JOURNAL OF PHYSICAL CHEMISTRY A
Artículo2017 An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW-AAPL Automatic nharmonic Phonon Library NPJ COMPUTATIONAL MATERIALS
Artículo2017 Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids PHYSICAL REVIEW MATERIALS
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 High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity SCRIPTA MATERIALIA
Artículo2016 Cu Deposited on CeOx-Modified TiO2(110): Synergistic Effects at the Metal-Oxide Interface and the Mechanism of the WGS Reaction ACS CATALYSIS
Artículo2016 First principles thermodynamical modeling of the binodal and spinodal curves in lead chalcogenides PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Artículo2016 High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation COMPUTATIONAL MATERIALS SCIENCE
Artículo2016 Structural, electronic and optical properties of copper, silver and gold sulfide: a DFT study THEORETICAL CHEMISTRY ACCOUNTS
Artículo2015 Charting the complete elastic properties of inorganic crystalline compounds SCIENTIFIC DATA
Artículo2015 The AFLOW standard for high-throughput materials science calculations COMPUTATIONAL MATERIALS SCIENCE
Artículo2014 High-throughput computational screening of thermal conductivity, Debye temperature, and Gruneisen parameter using a quasiharmonic Debye model PHYSICAL REVIEW B
Artículo2014 Surface oxygen vacancies in gold based catalysts for CO oxidation RSC ADVANCES
Artículo2014 Understanding the Interplay of Dopants, Interfaces, and Anionic Conductivity in Doped Ceria/Zirconia Heteroepitaxial Structures CHEMISTRY OF MATERIALS
Artículo2013 Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surfaces THEORETICAL CHEMISTRY ACCOUNTS
Ponencia2013 Effect of structure and size on the excited states dynamics of CaArnclusters EUROPEAN PHYSICAL JOURNAL D
Artículo2013 Electron Mobility via Polaron Hopping in Bulk Ceria: A First-Principles Study JOURNAL OF PHYSICAL CHEMISTRY C
Artículo2013 Nature of the Mixed-Oxide Interface in Ceria-Titania Catalysts: Clusters, Chains, and Nanoparticles JOURNAL OF PHYSICAL CHEMISTRY C
Artículo2013 Transport Properties in the CeO2-x(111) Surface: From Charge Distribution to Ion-Electron Collaborative Migration JOURNAL OF PHYSICAL CHEMISTRY C
Artículo2012 Ceria(100) Nanotubes with Negative Strain Energy: A First-Principles Prediction JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Artículo2012 Communication: Improving the density functional theory plus U description of CeO2 by including the contribution of the O 2p electrons JOURNAL OF CHEMICAL PHYSICS
Artículo2012 Making Photo-selective TiO2 Materials by Cation-Anion Codoping: From Structure and Electronic Properties to Photoactivity JOURNAL OF PHYSICAL CHEMISTRY C
Artículo2011 Comparative Study on the Performance of Hybrid DFT Functionals in Highly Correlated Oxides: The Case of CeO2 and Ce2O3 JOURNAL OF CHEMICAL THEORY AND COMPUTATION
Artículo2011 Gold Nanoparticles on Yttrium Modified Titania: Support Properties and Catalytic Activity TOPICS IN CATALYSIS
Artículo2011 Structural Defects in W-Doped TiO2 (101) Anatase Surface: Density Functional Study JOURNAL OF PHYSICAL CHEMISTRY C
Artículo2011 Understanding Acetaldehyde Thermal Chemistry on the TiO2 (110) Rutile Surface: From Adsorption to Reactivity JOURNAL OF PHYSICAL CHEMISTRY C
Artículo2010 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 JOURNAL OF CHEMICAL PHYSICS
Artículo2009 Role of Coverage and Surface Oxidation Degree in the Adsorption of Acetone on TiO2 (110). A Density Functional Study JOURNAL OF PHYSICAL CHEMISTRY C
Artículo2009 Vinyl Acetate Synthesis on Homogeneous and Heterogeneous Pd-Based Catalysts: A Theoretical Analysis on the Reaction Mechanisms JOURNAL OF PHYSICAL CHEMISTRY A

Este investigador no ha dirigido/tutorizado tesis

Proyectos de Investigación

Fecha de inicio Fecha de fin Rol Denominación Agencia financiadora
30/01/2014 31/07/2019 Investigador/a Celdas Solares con Sensibilizador: Propiedades Electrónicas de Nanoestructuras de Sulfuros Metálicos Utilizados Como Captores de Energía (Qdsc). (P12-FQM-1595) Consejería de Economía, Innovación y Ciencia (Autonómico)
01/01/2013 31/12/2015 Investigador/a Simulación de Catalizadores: Nanopartículas de Metales y Óxidos Metálicos Depositadas en un Soporte: Estructura, Propiedades Electrónicas y Actividad Catalítica. (MAT2012-31526) Ministerio de Economía y Competitividad (Nacional)
13/01/2009 31/12/2013 Investigador/a Celdas Solares con Sensibilizador: Simulación de la Estructura de la Interfase Electrolito/Semiconductor (P08-FQM-03661) Junta de Andalucía - Consejería de Innovación, Ciencia y Empresas (Autonómico)
01/06/2020 31/05/2023 Responsable Diseño y Modelización Computacional de Materiales Termoeléctricos Basados en Calcogenuros y Oxicalcogenuros Metálicos (PID2019-106871GB-I00) Ministerio de Ciencia, Innovación y Universidades (Nacional)

Contratos

Fecha de inicio Fecha de fin Rol Denominación Agencia financiadora
20/12/2012 30/09/2013 Investigador/a Aplicación de Química computacional a Procesos catalíticos de Epoxidación. (1735/0638) Repsol Petróleo, S.A. (Nacional)