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PLATA RAMOS, JOSÉ JAVIERPerfil en ORCID: 0000-0002-0859-0450 Perfil en ResearcherID: D-4096-2011 Perfil en Scopus: 35171152300\ Grupos de Investigación Responsable de los siguientes proyectos/ayudas en la USProyectos: - Diseño y modelización computacional de materiales termoeléctricos basados en calcogenuros y oxicalcogenuros metálicos ( PID2019-106871GB-I00 ).
Participa los siguientes proyectos/ayudas en la USProyectos: - Predicción de propiedades termodinámicas para el descubrimiento y optimización de materiales termoeléctricos, combinando química computacional y apren ( PID2022-138063OB-I00 - Investigador Principal Joven).
- BUSQUEDA Y OPTIMIZACION DE LA EFICIENCIA TERMOELECTRICA DE ESCUTERUDITAS USANDO BASES DE DATOS, ENTORNOS DE ALTO RENDIMIENTO, SIMULACIONES ATOMISTICAS ( TED2021-130874B-I00 - Investigador Principal Consolidado).
- Diseño y Modelización Computacional de Materiales Termoeléctricos Basados en Calcogenuros y Oxicalcogenuros Metálicos ( PID2019-106871GB-I00 - Investigador Principal Joven).
- igh throughput computing for accelerated photovoltaic material discovery: From materials database to the new generation of photovoltaic materials ( HT-PHOTO-DB 752608 - Investigador Principal Joven).
- Celdas Solares con Sensibilizador: Propiedades Electrónicas de Nanoestructuras de Sulfuros Metálicos Utilizados Como Captores de Energía (Qdsc). ( P12-FQM-1595 - Investigador/a).
- Simulación de Catalizadores: Nanopartículas de Metales y Óxidos Metálicos Depositadas en un Soporte: Estructura, Propiedades Electrónicas y Actividad ( MAT2012-31526 - Investigador/a).
- Aplicación de la Quimica Computacional a procesos catalíticos de epoxidación ( 1735/0638 - Investigador/a).
- SIMULACIÓN DE CATALIZADORES, REACTIVIDAD DE SUPERFICIES DE TIO2 Y SNO2 DOPADAS CON C, N Y SB, INTERFASES METAL/SOPORTE, Y PROPIEDADES ELECTRÓNICAS DE ( MAT2008-04918 - Investigador/a).
- SIMULACIÓN DE CATALIZADORES: METALES SOPORTADOS EN ÓXIDOS DE ALUMINIO, TITANIO Y CERIO ( MAT2005-01872 - Investigador/a).
Contratos: - Aplicación de Química computacional a Procesos catalíticos de Epoxidación. ( 1735/0638 - Investigador/a ).
PublicacionesCapítulo de Libros: - Plata-Ramos, José Javier, Nath, Pinku, Fdez. Sanz, Javier, Márquez-Cruz, Antonio M.:
In silico modeling of inorganic thermoelectric materials. Pag. 446 - 460. En: Comprehensive Inorganic Chemistry III. Elsevier Ltd.. 2023. ISBN 978-0-12-823153-1 - Antunes, Luis M., Vikram, Vikram, Plata-Ramos, José Javier, Powell, Anthony V., Butler, Keith T., Grau, Ricardo:
Machine learning approaches for accelerating the discovery of thermoelectric materials. Pag. 1 - 32. En: Machine Learning in Materials Informatics: Methods and Applications. ACS SYMPOSIUM SERIES. 2022. ISBN ¿9780841297630 - Toher, Cormac, Oses, Corey, Hicks, David , Plata-Ramos, José Javier, Curtarolo, Stefano:
The AFLOW Fleet for Materials Discovery. Pag. 1 - 28. En: Handbook of Materials Modeling. Springer, Cham. 2020. ISBN 978-3-319-42913-7 - Amaya Suarez, Javier, Remesal, Elena R., Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Computational modeling of carbon dioxide catalytic conversion . Pag. 620 - 640. En: Engineering Solutions for CO2 Conversion . WILEY-VCH VERLAG GMBH & CO. KGAA,. 2020. ISBN 9783527346394
Publicaciones en Revistas: - Morales-González, Julia, Plata-Ramos, José Javier, Lebrón-Romero, José Antonio, Ostos-Marcos, Francisco José:
El podcast como una herramienta docente innovadora en la transferencia del conocimiento en la Universidad de Sevilla. En: RESCIFAR: Revista Española de Ciencias Farmacéuticas. 2023. Vol. 4. Núm. 1. Pag. 138-145 - Plata-Ramos, José Javier, Blancas, Ernesto J, Márquez-Cruz, Antonio M., Posligua, Victor, Fdez. Sanz, Javier, Grau, Ricardo:
Harnessing the unusually strong improvement of thermoelectric performance of AgInTe 2 with nanostructuring. En: Journal of Materials Chemistry A. 2023. Vol. 31. Núm. 11. Pag. 16734-16742 10.1039/D3TA02055J - Posligua, Victor, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier, Grau, Ricardo:
Theoretical Investigation of the Lattice Thermal Conductivities of II¿IV¿V2 Pnictide Semiconductors. En: ACS Applied Electronic Materials. 2023. Vol. . Núm. . Pag. - 10.1021/acsaelm.3c01242 - Plata-Ramos, José Javier, Posligua, Victor, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier, Grau, Ricardo:
Charting the Lattice Thermal Conductivities of I¿III¿VI2 Chalcopyrite Semiconductors. En: Chemistry of Materials. 2022. Vol. 34. Núm. 6. Pag. 2833-2841 10.1021/acs.chemmater.2c00336 - Blancas, Ernesto J., Plata-Ramos, José Javier, Santana, Julia, Lemus-prieto, Felipe, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Unraveling the role of chemical composition in the lattice thermal conductivity of oxychalcogenides as thermoelectric materials. En: Journal of Materials Chemistry A. 2022. Vol. 10. Núm. 37. Pag. 19941-19952 10.1039/D2TA02180C - Amaya Suarez, Javier, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Catalytic activity of PtCu intermetallic compound for CO oxidation: a theoretical insight. En: Catalysis Today. 2022. Vol. 383. Núm. . Pag. 339-344 https://doi.org/10.1016/j.cattod.2020.12.007 - Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
High-Throughput Screening of the Thermoelastic Properties of Ultrahigh-Temperature Ceramics. En: ACS Applied Materials and Interfaces. 2021. Vol. 13. Núm. 25. Pag. 29843-29857 https://doi.org/10.1021/acsami.1c08832 - Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Cuesta-lópez, Santiago, Fdez. Sanz, Javier:
Connecting experimental synthetic variables with the microstructure and electronic properties of doped ferroelectric perovskites for solar cell applic. En: Acta Materialia. 2021. Vol. 204. Núm. 1. Pag. 116466- 10.1016/j.actamat.2020.11.008 - Plata-Ramos, José Javier, Remesal, Elena R., Graciani, Jesus, Márquez-Cruz, Antonio M., Rodríguez, Jose A., Fdez. Sanz, Javier:
Understanding the Photocatalytic Properties of Pt/CeOx/TiO2: Structural Effects on Electronic and Optical Properties. En: Chemphyschem. 2019. Vol. 20. Núm. . Pag. 1624-1629 10.1002/cphc.201900141 - Plata-Ramos, José Javier, Amaya Suarez, Javier, Cuesta, Santiago, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Photo-sensitizing thin-film ferroelectric oxides using materials databases and high-throughput calculations. En: Journal of Materials Chemistry A. 2019. Vol. 7. Núm. 48. Pag. 27323-27333 10.1039/C9TA11820A - Plata-Ramos, José Javier, Amaya Suarez, Javier, Márquez-Cruz, Antonio M., Odriozola-Gordon, José Antonio, Fdez. Sanz, Javier:
Improving the activity of gold nanoparticles of the water-gas shift reaction using TiO2-Y2O3: an example of catalyst design. En: Physical Chemistry Chemical Physics. 2018. Vol. 20. Núm. . Pag. 22076-22083 - Usanmaz, Demet, Nath, Pinku , Toher, Cormac, Plata-Ramos, José Javier, Fiedrich, Rico, Fornari, Marco, Buongiorno Nardelli, Marco, Curtarolo, Stefano:
Spinodal superlattices of topological insulators. En: Chemistry of Materials. 2018. Vol. 30. Núm. 7. Pag. 2331-2340 https://doi.org/10.1021/acs.chemmater.7b05299 - Plata-Ramos, José Javier, Pacheco, Laura C., Remesal, Elena R., Masa, Maria O., Vega, Luis, Márquez-Cruz, Antonio M., Odriozola-Gordon, José Antonio, Fdez. Sanz, Javier:
Analysis of the variables that modify the robustness of Ti-SiO2 catalysts for alkene epoxidation: Role of silylation, deactivation and potential solut. En: Molecular Catalysis. 2018. Vol. 459. Núm. . Pag. 55-60 https://doi.org/10.1016/j.mcat.2018.08.010 - Toher, Cormac, Curtarolo, Stefano, Oses, Corey , Plata-Ramos, José Javier, Hicks, David, Rose, Frisco, Levy, Ohad, De Jong, Maarten, Asta, Mark, Fornari, Marco:
Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids. En: Physical Review Materials. 2017. Vol. 1. Núm. . Pag. 015401- https://doi.org/10.1103/PhysRevMaterials.1.015401 - Amaya Suarez, Javier, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Effects of the capping ligands, linkers and oxide surface in the electron injection mechanism of copper sulfide Quantum Dots sensitized solar cells. En: Physical Chemistry Chemical Physics. 2017. Vol. 19. Núm. 22. Pag. 14580-14587 10.1039/C7CP01076A - Nath, Pinku, Plata-Ramos, José Javier, Usanmaz, Demet, Toher, Cormac, Fornari, Marco, Buogiorno Nardelli, Marco, Curtarolo, Stefano:
High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity. En: Scripta Materialia. 2017. Vol. 129. Núm. . Pag. 88-93 10.1016/j.scriptamat.2016.09.034 - Plata-Ramos, José Javier, Curtarolo, Stefano, Nath, Pinku, Usanmaz, Demet , Carrete, Jesús, Toher, Cormac, De Jong, Maarten, Asta, Mark, Fornari, Marco, Buongiorno-nardelli, Marco:
An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW-AAPL Automatic Anharmonic Phonon Library. En: Npj Computational Materials. 2017. Vol. 3. Núm. 1. Pag. 45- ttps://doi.org/10.1038/s41524-017-0046-7 - Amaya Suarez, Javier, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Ag2S Quantum Dot-Sensitized Solar Cells by First Principles: The Effect of Capping Ligands and Linkers. En: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 2017. Vol. 121. Núm. . Pag. 7290-7296 10.1021/acs.jpca.7b07731 - Nath, Pinku, Plata-Ramos, José Javier, Usanmaz, Demet, Al Rahal Al Orabi, Rabih, Fornari, Marco, Buongiorno Nardelli, Marco, Toher, Cormac , Curtarolo, Stefano:
High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation. En: Computational Materials Science. 2016. Vol. 125. Núm. . Pag. 82-91 10.1016/j.commatsci.2016.07.043 - Amaya Suarez, Javier, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Structural electronic and optical properties of copper, silver and gold sulfide: a DFT study. En: Theoretical Chemistry Accounts. 2016. Vol. 135. Núm. 70. Pag. - 10.1007/s00214-016-1832-x - Usanmaz, Demet, Nath, Pinku, Plata-Ramos, José Javier, Hart, Gus, Takeuchi, Ichiro, Buongiorno Nardelli, Marco , Fornari, Marco, Curtarolo, Stefano:
First principles thermodynamical modeling of the binodal and spinodal curves in lead chalcogenides. En: Physical Chemistry Chemical Physics. 2016. Vol. 18. Núm. . Pag. 5005-5011 - Plata-Ramos, José Javier, Graciani-Alonso, Jesus, Evans, Jaime , Rodriguez, Jose A., Fdez. Sanz, Javier:
Cu Deposited on CeOx-Modified TiO2(110): Synergistic Effects at the Metal¿Oxide Interface and the Mechanism of the WGS Reaction. En: ACS Catalysis. 2016. Vol. 6. Núm. . Pag. 4608-4615 10.1021/acscatal.6b00948 - Calderon, Camilo, Buongiorno Nardelli, Marco, Curtarolo, Stefano, Plata-Ramos, José Javier, Toher, Cormac, Oses, Corey, Levy, Ohad, Fornari, Marco, Natan, Amir, Mehl, Michael, Hart, Gus:
The AFLOW standard for high-throughput materials science calculations. En: Computational Materials Science. 2015. Vol. 108. Núm. . Pag. 233-238 10.1016/j.commatsci.2015.07.019 - Toher, Cormac, Plata-Ramos, José Javier, Levy, Ohad, De Jong, Marteen, Buogiorno Nardelli, Marco, Curtarolo, Stefano:
High-throughput computational screening of thermal conductivity, Debye temperature, and Gruneisen parameter using a quasiharmonic Debye model. En: Physical Review B: Covering Condensed Matter and Materials Physics. 2014. Vol. 90. Núm. . Pag. 174107- - Romero-Sarria, Francisca, Plata-Ramos, José Javier, Laguna-Espitia, Oscar Hernando, Márquez-Cruz, Antonio M., Centeno-Gallego, Miguel Angel, Fdez. Sanz, Javier, Odriozola-Gordon, José Antonio:
Surface oxygen vacancies in gold based catalysts for CO oxidation. En: RSC Advances. 2014. Vol. 4. Núm. . Pag. 13145-13152 10.1039/c3ra46662k - Johnston-peck, Aaron C., Fierro, José L. G., Stach, Eric A., Rodriguez, Jose A., Senanayake, Sanjaya D., Plata-Ramos, José Javier, Kundu, Shankhamala, Xu, Wenqian, Barrio, Laura, Graciani-Alonso, Jesus, Fdez. Sanz, Javier, Navarro, Rufino M.:
Nature of the Mixed-Oxide Interface in Ceria-Titania Catalysts: Clusters, Chains, and Nanoparticles. En: The Journal of Physical Chemistry C. 2013. Vol. 117. Núm. 28. Pag. 14463-14471 10.1021/jp3125268 - Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surface. En: Theoretical Chemistry Accounts. 2013. Vol. 132. Núm. . Pag. 1311- 10.1007/s00214-012-1311-y - Plata-Ramos, José Javier, Heitz, Marie-catherine, Spiegelman, Fernand:
Effect of structure and size on the excited states dynamics of CaArn clusters. En: European Physical Journal D. Atomic, Molecular, Optical and Plasma Physics. 2013. Vol. 67. Núm. . Pag. 17- 10.1140/epjd/e2012-30522-5 - Márquez-Cruz, Antonio M., Plata-Ramos, José Javier, Fdez. Sanz, Javier:
Electron Mobility via Polaron Hopping in Bulk Ceria: A First-Principles Study . En: The Journal of Physical Chemistry B. 2013. Vol. 117. Núm. 28. Pag. 14502-14509 10.1021/jp402594x - Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Transport porperties in CeO2 (111) Surface: Form Charge Distribution to Ion-Electron Collaborative Migration. En: The Journal of Physical Chemistry B. 2013. Vol. 117. Núm. 48. Pag. 25497-25503 10.1021/jp4066532 - Plata-Ramos, José Javier, Ruiz-Tagle-Gutiérrez, Igor Alberto, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Ceria(100) Nanotubes with Negative Strain Energy: A First-Principles Prediction . En: The Journal of Physical Chemistry Letters. 2012. Vol. 3. Núm. . Pag. 2092- 10.1021/jz300731n - Márquez-Cruz, Antonio M., Plata-Ramos, José Javier, Ortega-García, Yanaris, Fdez. Sanz, Javier, Kubacka, Anna, Fernández-garcía, Marcos:
Making Photo-selective TiO2 Materials by Cation-Anion Codoping: From Strucutre and Electronic Properties to Photoactivity. En: The Journal of Physical Chemistry C. 2012. Vol. 116. Núm. 35. Pag. 18759-18767 10.1021/jp3045143 - Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Improving the density functional theory+U description of CeO2 by including the contribution of the O 2p electrons . En: The Journal of Chemical Physics. 2012. Vol. 136. Núm. 4. Pag. 041101-041105 10.1063/1.3678309 - Graciani-Alonso, Jesus, Márquez-Cruz, Antonio M., Plata-Ramos, José Javier, Ortega-García, Yanaris, Cruz-Hernández, Norge, Zicovich-Wilson,Claudio Marcelo, Meyer-,Alessio, Fdez. Sanz, Javier:
COMPARATIVE STUDY ON THE PERFORMANCE OF HYBRID DFT FUNCTIONALS IN HIGHLY CORRELATED OXIDES: THE CASE OF CEO2 AND CE2O3. En: Journal of Chemical Theory and Computation. 2011. Vol. 7. Núm. . Pag. 56-65 - Márquez-Cruz, Antonio M., Plata-Ramos, José Javier, Ortega-García, Yanaris, Fdez. Sanz, Javier:
STRUCTURAL DEFECTS IN W-DOPED TIO2 (101) ANATASE SURFACE: DENSITY FUNCTIONAL STUDY. En: The Journal of Physical Chemistry C. 2011. Vol. 115. Núm. 34. Pag. 16970-16976 - Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier, Sánchez-Avellaneda, Rafael, Dominguez-Leal, Maria Isabel, Romero-Sarria, Francisca, Centeno-Gallego, Miguel Angel, Odriozola-, J.A.:
GOLD NANOPARTICLES ON YTTRIUM MODIFIED TITANIA: SUPPORT PROPERTIES AND CATALYTIC ACTIVITY. En: Topics in Catalysis. 2011. Vol. 54. Núm. . Pag. 219-228 - Plata-Ramos, José Javier, Collico-,Veronica, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
UNDERSTANDING ACETALDEHYDE THERMAL CHEMISTRY ON THE TIO2 (110) RUTILE SURFACE: FROM ADSORPTION TO REACTIVITY. En: The Journal of Physical Chemistry C. 2011. Vol. 115. Núm. . Pag. 2819-2825 - Graciani-Alonso, Jesus, Plata-Ramos, José Javier, Liu-,Ping, Rodríguez-,José A, Fdez. Sanz, Javier:
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) CATA. En: The Journal of Chemical Physics. 2010. Vol. 132. Núm. . Pag. 104703-1-104703-8 - Plata-Ramos, José Javier, Feliu-,Maseras, Lopez-,Nuria, García-Mota-,Mónica, Braga-,Ataualpa A. C.:
VINYL ACETATE SYNTHESIS ON HOMOGENEOUS AND HETEROGENEOUS PD-BASED CATALYSTS: A THEORETICAL ANALYSIS ON THE REACTION MECHANISMS. En: Journal of physical chemistry (1952). 2009. Vol. 113. Núm. 43. Pag. 11758-11762 - Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
ROLE OF COVERAGE AND SURFACE OXIDATION DEGREE IN THE ADSORPTION OF ACETONE ON TIO2 (110). A DENSITY FUNCTIONAL STUDY. En: The Journal of Physical Chemistry C. 2009. Vol. 113. Núm. 46. Pag. 19973-19980
Aportaciones a Congresos: - Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Blancas, Ernesto J, Posligua, Victor, Grau, Ricardo, Fdez. Sanz, Javier:
High¿throughput and accurate prediction of the thermal and electron transport properties of large chemical spaces accelerated by machine learning. Poster en Congreso. 19th EUROPEAN CONFERENCE ON THERMOELECTRICS. Praga. 2023 - Posligua, Victor, Remesal, Elena R., Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
High-throughput screening of thermoelectric materials by machine learning. Sesión plenaria en Congreso. Químicos Teóricos Expresión Latina. , - Montevideo, Uruguay. 2023 - Márquez-Cruz, Antonio M., Blancas, Ernesto J., Lobato, Álvaro, Plata-Ramos, José Javier, Otero De La Roza, Alberto, Izquierdo, Fernando, Fdez. Sanz, Javier, Recio, José Manuel:
Tunning the thermal conductivity of filled skutterudites by pressure. Sesión no plenaria en Congreso. CMD30 FisMat 2023. Milán (Italia). 2023 - Plata-Ramos, José Javier, Blancas, Ernesto J., Márquez-Cruz, Antonio M., Posligua, Victor, Fdez. Sanz, Javier, Grau-crespo, Ricardo:
High-throughput optimization of the thermoelectric efficiency of chalcogenides through nano-structuring: ab-initio calculations, machine learning and . Sesión plenaria en Congreso. 3rd Iberian Thermoeletric Workshop ITW-2023. Campus Tecnológico e Nuclear of IST-UL, Lisbon, Portugal. 2023 - Márquez-Cruz, Antonio M., Caro-campos, Irene, Plata-Ramos, José Javier, Fdez. Sanz, Javier:
Physical Insights on the Chemical Factors that Influence the Thermoelectric Properties in Cu- and Ag-based Sulvanites. Sesión plenaria en Congreso. 3rd Iberian Thermoeletric Workshop (ITW-2023). Campus Tecnológico e Nuclear of IST-UL. 2023 - Posligua, Victor, Márquez-Cruz, Antonio M., Plata-Ramos, José Javier, Fdez. Sanz, Javier, Grau-crespo, Ricardo:
Unravelling the role of chemical composition in the thermal transport properties of I-III-VI2 chalcopyrites semiconductors. Sesión no plenaria en Congreso. CMD30 FisMat 2023. Milán (Italia). 2023 - Lobato, Álvaro, Blancas, Ernesto, Izquierdo-ruiz, Fernando, Márquez-Cruz, Antonio M., Otero De La Roza, Alberto, Plata-Ramos, José Javier, Recio, José Manuel:
Enhancing thermoelectric power in skutterudites by tuning chemical interactions under pressure. Conferencia Congreso no publicada. 28th AIRAPT and 60th EHPRG. EDIMBURGO (REINO UNIDO). 2023 - Remesal, Elena R., Márquez-Cruz, Antonio M., Blancas, Ernesto, Posligua, Victor, Plata-Ramos, José Javier, Fdez. Sanz, Javier:
Modelling the lattice thermal conductivity of skutterudites: ab¿initio calculations, machine learning and more. Poster en Congreso. 19th EUROPEAN CONFERENCE ON THERMOELECTRICS. Praga. 2023 - Santana, Julia, Blancas, Ernesto, Márquez-Cruz, Antonio M., Plata-Ramos, José Javier, Fdez. Sanz, Javier:
Exploring the properties of thermoelectric materials from high-throughput computations. Sesión plenaria en Congreso. ZCAM-ASEVA METAL-OXIDE ULTRATHIN FILMS AND NANOSTRUCTURES. Zaragoza. 2022 - Blancas, Ernesto , Santana, Julia, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
High-throughput screening of thermoelectric materials by machine learning. Sesión plenaria en Congreso. XX MRS Meeting. Foz Iguazú (Brasil). 2022 - Plata-Ramos, José Javier, Blancas, Ernesto, Santana, Julia, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Exploring the role of chemical composition in the lattice thermal conductivity of thermoelectric materials assisted by machine learning. Sesión plenaria en Congreso. 12th Congress on Electronic Structure: Principles and Applications. Vigo. 2022 - Santana, Julia, Blancas, Ernesto J., Plata-Ramos, José Javier, Fdez. Sanz, Javier, Márquez-Cruz, Antonio M.:
Accelerated Screening of the Thermoelectric Efficiency of Skutterudites by Machine Learning. Poster en Congreso. 12th Congress on Electronic Structure: Principles and Applications. Vigo. 2022 - Amaya Suarez, Javier, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Design of Epitaxially Grown Ferroelectric Perovksite Photosensitizers from High-Throughput Computations. Comunicación en congreso. The 17th International Conference on the Formation of Semiconductor Interfaces. Shanghai, China. 2019 - Plata-Ramos, José Javier, Amaya Suarez, Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Combining material databases and high-throughput computing for the discovery of new photo-sensitized ferroelectric materials. Ponencia en Congreso. 14th International Conference on Materials Chemistry. BIRMINGHAM - REINO UNIDO. 2019 - Plata-Ramos, José Javier, Amaya Suarez, Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Photo-sensitizing ferroelectric oxides using materials databases and high-throughput calculations. Ponencia en Congreso. Theoretical Chemistry and Computational Modeling: 20 years promoting Excellence in Science . San Sebastian. 2019 - Márquez-Cruz, Antonio M., Plata-Ramos, José Javier, Amaya Suarez, Javier, Fdez. Sanz, Javier:
A combinatorial approach for the study of disordered photo sensitized ferroelectric materials. Sesión no plenaria en Congreso. 3rd International Conference on Applied Surface Science. Pisa, Italia. 2019 - Amaya Suarez, Javier, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
High-throughput search of substrates for the discovery of new epitaxy photo-sensitized ferroelectric structures. Comunicación en congreso. 3rd International Conference on Applied Surface Science. Pisa, Italia. 2019 - Márquez-Cruz, Antonio M., Plata-Ramos, José Javier, Amaya Suarez, Javier, Fdez. Sanz, Javier:
A combinatorial approach for the study of disordered photosensitized ferroelectric materials. Ponencia en Congreso. 50 Years of Quantum Chemistry in Strasbourg. Estrasburgo (Francia). 2019 - Amaya Suarez, Javier, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Combining high-throughput and high-performance computing for the discovery of new photo-sensitized ferroelectric structures. Ponencia en Congreso. IUMRS-ICAM International Conference on Advanced Materials . Niza, Francia. 2019 - Fdez. Sanz, Javier, Plata-Ramos, José Javier, Graciani, Jesus, Remesal, Elena R.:
CeOx/TiO2 Nanostructured Interfaces as Highly Active Catalysts. Ponencia en Congreso. International Conference on Applied Catalysis and Chemical Engineering. DUBAI, E.A.U. 2019 - Amaya Suarez, Javier, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Optoelectronic properties of copper sulfide nanoparticles. Poster en Congreso. 10th Congress on Electronic Structure: Principles and Applications. CASTELLÓN (ESPAÑA). 2016 - Márquez-Cruz, Antonio M., Plata-Ramos, José Javier, Fdez. Sanz, Javier:
Understanding the Interplay of Dopants, Interfaces and Anionic Conductivity in Doped Ceria/Zirconia Heteroepitaxial Structures. Comunicación en congreso. 9th Congress on Electronic Structure Principles and Applications. Badajoz (Badajoz). 2014 - Márquez-Cruz, Antonio M., Plata-Ramos, José Javier, Ortega-García, Yanaris, Fdez. Sanz, Javier, Colon-Ibañez, Gerardo, Kubacka, Anna, Fernández-garcía, Marcos:
Diseño de materiales fotocatalíticos basados en TiO2 mediante codopado anión-catión: una aproximación multidisciplinar. Comunicación en congreso. SECAT'13 Catalizadores y Reactores Estructurados. . 2013 - Fdez. Sanz, Javier, FERIA-HERNANDEZ, LETICIA, Graciani-Alonso, Jesus, Plata-Ramos, José Javier, Rodriguez, Jose Antonio:
Mechanism of the Water-Gas Shift Reaction at the Metal-Oxide Interface: Insights from first principles calculations. Ponencia en Congreso. Congress of International Society of Theoretical Chemical Physics. Budapest. 2013 - Fdez. Sanz, Javier, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M.:
Charge Transport at CeO2 Interfaces: Electron Mobility and Oxygen Ion Migration. Sesión plenaria en Congreso. Workshop on QUANTUM SYSTEMS IN CHEMISTRY, PHYSICS, AND BIOLOGY. Paraty, Rio de Janeiro, Brazil. 2013 - Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fernández-Sanz, Javier:
Transport properties in CeO2: From electron transfer to ion-electron coupling. Poster en Congreso. Electronic Structure Principles and applications 2012. . 2012 - Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Electronic Properties and Structure of 1d Ceria Materials: From Atomistic to Nanoscale Models. Poster en Congreso. Mini 2012. . 2012 - Fdez. Sanz, Javier, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M.:
Charge Transport in CeO2: Electron Mobility via Polaron Hopping and Ion-electron Coupling. Ponencia en Congreso. Theory and Applications of Computational Chemistry. PAVIA, ITALIA. 2012 - Márquez-Cruz, Antonio M., Plata-Ramos, José Javier, Ortega-García, Yanaris, Fdez. Sanz, Javier, Colon-Ibañez, Gerardo:
Making Photo-selective TiO2 mateials by cation-anion codoping: from structure and electronic properties to photoactivity. Poster en Congreso. Electronic Structure: Principles and Applications (Barcelona 2012). . 2012 - Fdez. Sanz, Javier, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Ruiz-tagle, Igor:
Ceria (100) Nanotubes with Negative Strain Energy: A First-Principles Prediction. Poster en Congreso. Electronic Structure: Principles and Applications (Barcelona 2012). . 2012 - Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
Gold Adsorption in New 1D Ceria Materials: from atomistic to Nanoscale Models. Poster en Congreso. Reunión Ibérica de Adsorción Sevilla. Ria 2012. . 2012 - Romero-Sarria, Francisca, Plata-Ramos, José Javier, Sánchez-Avellaneda, Rafael, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier, Odriozola-Gordon, José Antonio:
Role des lacunes d'oxygène dans des catalyseurs d'or: dynamique de surface. Ponencia en Congreso. Rèunion plèniére du GDR OR-NANO. POITIERS (FRANCE). 2012 - Fdez. Sanz, Javier, Graciani-Alonso, Jesus, Plata-Ramos, José Javier, FERIA-HERNANDEZ, LETICIA:
Mechanism of surface reactions: Insights from first principles calculations. Comunicación en congreso. COST REDOX General meeting 2012. CHARLES UNIVERSITY, PRAGA (REPÚBLICA CHECA). 2012 - Fdez. Sanz, Javier, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M.:
Theoretical characterization of electron mobility via polaron hopping in strongly correlated systems: The case of bulk ceria. Comunicación en congreso. Understanding Structure and Functions of Reducible Oxide Systems - A Challenge for Theory and Experiment. . 2011 - Fdez. Sanz, Javier, Graciani-Alonso, Jesus, Plata-Ramos, José Javier:
Mechanism of the Water-Gas Shift Reaction: Insights from First Principles Calculations.. Comunicación en congreso. Watoc2011. . SANTIAGO DE COMPOSTELA. 2011 - Park, Joon B., Evans, Jaime, Plata-Ramos, José Javier, Stacchiola, Dario, Fdez. Sanz, Javier, Rodriguez, Jose A.:
CATALYTIC EFFECTS OF THE NANO-MIXED-METAL OXIDES: THE Metal/CeOX/TiO2(110) WGS-CATALYSTS. Poster en Congreso. Understanding Structure and Functions of Reducible Oxide Systems- A Challenge for Theory and Experiment. ALBARRACIN (ZARAGOZA). 2011 - Márquez-Cruz, Antonio M., Plata-Ramos, José Javier, Collico-,Veronica, Fdez. Sanz, Javier:
UNDERSTANDING ACETALDEHYDE THERMAL CHEMISTRY ON THE TIO2 (110) RUTILE SURFACE: FROM ADSORPTION TO REACTIVITY.. Conferencia Congreso no publicada. WATOC 2011 () (.2011.SANTIAGO DE COMPOSTELA). SANTIAGO DE COMPOSTELA. 2011 - Park, Joon B., Evans, Jaime, Plata-Ramos, José Javier, Stacchiola, Dario, Fdez. Sanz, Javier, Rodriguez, Jose A.:
CATALYTIC EFFECTS OF THE NANO-MIXED-METAL OXIDES: THE Metal/CeOX/TiO2(110) WGS-CATALYSTS. Poster en Congreso. Understanding Structure and Functions of Reducible Oxide Systems- A Challenge for Theory and Experiment. . 2011 - Plata-Ramos, José Javier, Ruiz-Tagle-Gutiérrez, Igor Alberto, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
ELECTRONIC PROPERTIES AND STRUCTURE OF 1D CERIA MATERIALS: FROM ATOMISTIC TO NANOSCALE MODELS. Poster en Congreso. WATOC 2011 () (.2011.SANTIAGO DE COMPOSTELA). SANTIAGO DE COMPOSTELA. 2011 - Graciani-Alonso, Jesus, Plata-Ramos, José Javier, Fdez. Sanz, Javier:
CATALYTIC EFFECTS OF THE NANO-MIXED-METAL OXIDES: THE Metal/CeOX/TiO2(110) WGS-CATALYSTS. Poster en Congreso. Understanding Structure and Functions of Reducible Oxide Systems - A Challenge for Theory and Experiment. ALBARRACIN (ZARAGOZA). 2011 - Graciani-Alonso, Jesus, Park-,Joon B., Evans-,Jaime, Plata-Ramos, José Javier, Stacchiola-,Dario, Fdez. Sanz, Javier, Rodríguez-,José A:
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) cat. Poster en Congreso. TITANIA FOR ALL SEASONS: MULTIFUNCTIONALITY OF AN UNDERCOVER SEMICONDUCTOR () (.2010.BREMEN, ALEMANIA). BREMEN, ALEMANIA. 2010 - Graciani-Alonso, Jesus, Park-,Joon B., Evans-,Jaime, Plata-Ramos, José Javier, Stacchiola-,Dario, Fdez. Sanz, Javier, Rodríguez-,José A:
OUTSTANDING CATALYTIC EFFECT OF A MIXED-METAL OXIDE AT THE NANOMETER LEVEL: THE M/CEOX/TIO2(110) CATALYSTS. Comunicación en congreso. CERIA 2010. WORKSHOP ON CERIUM OXIDE () (.2010.MODENA, ITALIA). MODENA, ITALIA. 2010 - Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
ROLE OF COVERAGE AND SURFACE OXIDATION DEGREE IN THE ADSORPTION OF ACETONE ON TIO2 (110). A DENSITY FUNCTIONAL STUDY.. Poster en Congreso. ELECTRONIC STRUCTURE PRINCIPLES AND APPLICATIONS () (.2010.OVIEDO). OVIEDO. 2010 - Ortega-García, Yanaris, Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Cruz-Hernández, Norge, Fdez. Sanz, Javier:
ORIGIN OF PHOTOACTIVITY AND SELECTIVITY OF W-,N-CODOPING TIO2. Poster en Congreso. ELECTRONIC STRUCTURE PRINCIPLES AND APPLICATIONS () (.2010.OVIEDO). OVIEDO. 2010 - Fdez. Sanz, Javier, Graciani-Alonso, Jesus, Plata-Ramos, José Javier, Liu-,Ping, Rodríguez-,José A:
CU, AU AND PT DISPERSED ON CEOX/TIO2(110): HIGHLY ACTIVE CATALYSTS FOR WATER-GAS SHIFT. Comunicación en congreso. PACIFICHEM 2010 () (.2010.HAWAII, USA). HAWAII, USA. 2010 - Plata-Ramos, José Javier, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
GOLD NANOPARTICLES ON Y MODIFIED TIO2: FROM STRUCTURE AND ELECTRONIC PROPERTIES TO REACTIVITY. Poster en Congreso. ELECTRONIC STRUCTURE PRINCIPLES AND APPLICATIONS () (.2010.OVIEDO). OVIEDO. 2010 - Fdez. Sanz, Javier, Graciani-Alonso, Jesus, Plata-Ramos, José Javier, Rodríguez-,José A:
HIGH WATER-GAS SHIFT ACTIVITY OF CU, AU AND PT DISPERSED ON CEOX/TIO2(110): THE NATURE OF THE MIXED-METAL OXIDE AT THE NANOMETER LEVEL. Comunicación en congreso. INTERNATIONAL CONFERENCE ON THEORETICAL ASPECTS OF CATALYSIS (13) (13.2010.JAPAN). JAPAN. 2010 - Graciani-Alonso, Jesus, Park-,Joon B., Evans-,Jaime, Plata-Ramos, José Javier, Stacchiola-,Dario, Fdez. Sanz, Javier, Rodríguez-,José A:
THE CATALYTIC EFFECT OF A MIXED-METAL OXIDE AT THE NANOMETER LEVEL: A COMBINED EXPERIMENTAL-THEORETICAL STUDY ON THE HIGHLY ACTIVE M/CEOX/TIO2(110) CA. Poster en Congreso. ELECTRONIC STRUCTURE PRINCIPLES AND APPLICATIONS ESPA 2010 () (.2010.OVIEDO, SPAIN). OVIEDO, SPAIN. 2010 - Márquez-Cruz, Antonio M., Fdez. Sanz, Javier, Plata-Ramos, José Javier:
ADSORPTION OF ACETONE ON TIO2. Comunicación en congreso. JORNADAS IBÉRICAS DE SUPERCOMPUTACIÓN () (.2009.VALENCIA). . 2009 - Márquez-Cruz, Antonio M., Fdez. Sanz, Javier, Plata-Ramos, José Javier:
GOLD NANOPARTICLES ON Y MODIFIED TIO2: A CASE FOR DATA MINING. Comunicación en congreso. COST D37 WORKING GROUP WG05 MEETING - CAMBRIDGE (UK) () (.2009.CAMBRIDGE, REINO UNIDO). CAMBRIDGE, REINO UNIDO. 2009 - Márquez-Cruz, Antonio M., Fdez. Sanz, Javier, Plata-Ramos, José Javier:
GOLD PARTICLES ON Y MODIFIED TIO2: A COMPUTATIONAL STUDY. Conferencia Congreso no publicada. 3RD MEETING ON HIGH PERFORMANCE COMPUTING IN MOLECULAR SIMULATION. Madrid (Spain). 2009 - Graciani-Alonso, Jesus, Plata-Ramos, José Javier, Rodriguez-,Jose A., Evans-,Jaime, Yang-,Fan, Fdez. Sanz, Javier:
WATER GAS SHIFT REACTION ON A HIGHLY ACTIVE INVERSE CEOX/CU(111) CATALYST: UNIQUE ROLE OF CERIA NANOPARTICLES. Poster en Congreso. COMPUTER SIMULATION OF OXIDES: DOPANTS, DEFECTS AND SURFACES () (.2009.TRINITY COLLEGE, DUBLIN, IRLANDA). TRINITY COLLEGE, DUBLIN, IRLANDA. 2009 - Centeno-Gallego, Miguel Angel, Sánchez-Avellaneda, Rafael, Romero-Sarria, Francisca, Dominguez-Leal, Maria Isabel, Plata-Ramos, José Javier, Fdez. Sanz, Javier, Odriozola-Gordon, José Antonio:
MOLECULAR DYNAMICS SIMULATION STUDY OF GOLD INTERACTION WITH MODIFIED TIO2 SURFACES. Poster en Congreso. GOLD 2009. THE INTERNATIONAL CONFERENCE ON GOLD SCIENCE, TECHNOLOGY AND ITS APPLICATIONS () (.2009.HEIDELBERG, ALEMANIA). HEIDELBERG, ALEMANIA. 2009 - Plata-Ramos, José Javier, Ortega-García, Yanaris, Cruz-Hernández, Norge, Márquez-Cruz, Antonio M., Fdez. Sanz, Javier:
W-, N-CODOPED TIO2: A DENSITY FUNCTIONAL THEORY INSIGHT INTO ITS STRUCTURE AND PHOTOCATALYTIC PROPERTIES.. Poster en Congreso. 3RD MEETING ON HIGH PERFORMANCE COMPUTING IN MOLECULAR SIMULATION. Madrid (Spain). 2009 - Márquez-Cruz, Antonio M., Fdez. Sanz, Javier, Plata-Ramos, José Javier:
MODELLING THE REACTIVITY AT SOLID SURFACES: A WORKFLOW SCENARIO. Conferencia Congreso no publicada. COST D37 - JOINT WORKING GROUP AND MANAGEMENT COMITEE MEETING () (.2009.PRAGA (REPÚBLICA CHECA)). PRAGA (REPÚBLICA CHECA). 2009 - Márquez-Cruz, Antonio M., Fdez. Sanz, Javier, Plata-Ramos, José Javier:
ACETONE ADSORPTION ON RUTILE TIO2 (110) SURFACE FROM FIRST PRINCIPLES CALCULATIONS. Comunicación en congreso. CCWF: COMPUTATIONAL CHEMISTRY WORKFLOWS (2) (2.2008.BERLIN, ALEMANIA). BERLIN, ALEMANIA. 2008
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