Directorio
JESUS GRACIANI ALONSO
Categoría
Profesor Titular de Universidad
Departamento
Área
Química Física
Centro
Docencia
Investigación
Grupo de investigación
QUÍMICA TEÓRICA (QTEOR)
Proyectos y contratos de investigación
SIMULACIÓN DE CATALIZADORES: ESTRUCTURA Y REACTIVIDAD DE METALES SOPORTADOS SOBRE ÓXIDOS Y NITRUROS METÁLICOS (MAT2002-00576 - Investigador/a)
QUIMICA TEORICA (FQM132 - Investigador/a)
ACCIONES COORDINADAS FQM132-TEP106 (FQM132 - Investigador/a)
QUÍMICA TEÓRICA (FQM-132 - Investigador/a)
SIMULACIÓN DE CATALIZADORES: METALES SOPORTADOS EN ÓXIDOS DE ALUMINIO, TITANIO Y CERIO (MAT2005-01872 - Investigador/a)
CELDAS SOLARES CON SENSIBILIZADOR: SIMULACIÓN DE LA ACTIVIDAD DEL COLORANTE EN EL PROCESO DE CAPTACIÓN DE ENERGÍA (EXC/2005/FQM-1126 - 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)
FUNCIONALIZACIÓN SUPERFICIAL DE MATERIALES PARA APLICACIONES DE ALTO VALOR AÑADIDO (FUNCOAT). CONSOLIDER-INGENIO (CSD2008-00023 - Investigador/a)
Predicción de propiedades termodinámicas para el descubrimiento y optimización de materiales termoeléctricos, combinando química computacional y apren (PID2022-138063OB-I00 - Investigador/a)
BUSQUEDA Y OPTIMIZACION DE LA EFICIENCIA TERMOELECTRICA DE ESCUTERUDITAS USANDO BASES DE DATOS, ENTORNOS DE ALTO RENDIMIENTO, SIMULACIONES ATOMISTICAS (TED2021-130874B-I00 - Investigador/a)
Diseño y modelización computacional de materiales termoeléctricos basados en calcogenuros y oxicalcogenuros metálicos (PID2019-106871GB-I00 - Investigador/a)
Diseño y Modelización Computacional de Materiales Termoeléctricos Basados en Calcogenuros y Oxicalcogenuros Metálicos (PID2019-106871GB-I00 - Investigador/a)
Estudio computacional de la interacción entre un material silíceo y dos fluidos inmiscibles. (2264/0638 - Investigador/a)
Aplicación de Química computacional a Procesos catalíticos de Epoxidación. (1735/0638 - Investigador/a)
Diseño Computacional de Catalizadores Avanzados: Nanopartículas Metálicas Soportadas Sobre Óxidos Metálicos Mixtos (CTQ2015-64669-P - Investigador/a)
Simulación de Catalizadores: Nanopartículas de Metales y Óxidos Metálicos Depositadas en un Soporte: Estructura, Propiedades Electrónicas y Actividad (MAT2012-31526 - Investigador/a)
Celdas Solares con Sensibilizador: Propiedades Electrónicas de Nanoestructuras de Sulfuros Metálicos Utilizados Como Captores de Energía (Qdsc). (P12-FQM-1595 - Investigador/a)
Aplicación de la Quimica Computacional a procesos catalíticos de epoxidación (1735/0638 - Investigador/a)
Asistencia a congresos
Remesal, Elena R.;Graciani, Jesus;Rodriguez, Jose;Fdez. Sanz, Javier:
Water-Gas Shift Reaction on K Promoted Cu/TiO2 Surface. Poster en Congreso. International Conference Theoretical Aspects of Catalysis. Lyon (France). 2022
Water-Gas Shift Reaction on K Promoted Cu/TiO2 Surface. Poster en Congreso. International Conference Theoretical Aspects of Catalysis. Lyon (France). 2022
Remesal, Elena R.;Graciani, Jesus;Fdez. Sanz, Javier:
Water-Gas Shift Reaction on Cu/TiO2 Surfaces Promoted by Potassium. Poster en Congreso. 12th Congress on Electronic Structure: Principles and Applications. Vigo. 2022
Water-Gas Shift Reaction on Cu/TiO2 Surfaces Promoted by Potassium. Poster en Congreso. 12th Congress on Electronic Structure: Principles and Applications. Vigo. 2022
Remesal, Elena R.;Fdez. Sanz, Javier;Graciani, Jesus:
Potassium promoter role on TiO2 and Cu/TiO2 surfaces. Poster en Congreso. EUCO-CTC 2019. Perugia, Italia. 2019
Potassium promoter role on TiO2 and Cu/TiO2 surfaces. Poster en Congreso. EUCO-CTC 2019. Perugia, Italia. 2019
Remesal, Elena R.;Fdez. Sanz, Javier;Graciani, Jesus;Márquez-Cruz, Antonio M.:
Catalytic activity: Potassium as a promoter. Poster en Congreso. XXXVII REUNIÓN BIENAL DE LA REAL SOCIEDAD ESPAÑOLA DE QUÍMICA. Donostia-San Sebastían. 2019
Catalytic activity: Potassium as a promoter. Poster en Congreso. XXXVII REUNIÓN BIENAL DE LA REAL SOCIEDAD ESPAÑOLA DE QUÍMICA. Donostia-San Sebastían. 2019
Remesal, Elena R.;Graciani, Jesus;Rodriguez, Jose A.;Fdez. Sanz, Javier:
CO2 ACTIVATION ON CU/TIO2 SURFACES PROMOTED BY POTASSIUM. Comunicación en congreso. 14 th International Congress on Chemical and Process Engineering. Bolonia. 2019
CO2 ACTIVATION ON CU/TIO2 SURFACES PROMOTED BY POTASSIUM. Comunicación en congreso. 14 th International Congress on Chemical and Process Engineering. Bolonia. 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
CeOx/TiO2 Nanostructured Interfaces as Highly Active Catalysts. Ponencia en Congreso. International Conference on Applied Catalysis and Chemical Engineering. DUBAI, E.A.U. 2019
Remesal, Elena R.;Fdez. Sanz, Javier;Graciani, Jesus:
CO2 Activación on Cu/TiO2 Surfaces Promoted by potasium. Ponencia en Congreso. XI Jornada jovenes investigadores en física atómica y molecular. - CÁDIZ, - CÁDIZ, CADIZ,. 2019
CO2 Activación on Cu/TiO2 Surfaces Promoted by potasium. Ponencia en Congreso. XI Jornada jovenes investigadores en física atómica y molecular. - CÁDIZ, - CÁDIZ, CADIZ,. 2019
Remesal, Elena R.;Fdez. Sanz, Javier;Graciani, Jesus:
CO2 Activation on Cu/TiO2 Surfaces Promoted by Potassium. Poster en Congreso. 11TH CONGRESS ON ELECTRONIC STRUCTURE: PRINCIPLES AND APPLICATIONS. - Toledo, España. 2018
CO2 Activation on Cu/TiO2 Surfaces Promoted by Potassium. Poster en Congreso. 11TH CONGRESS ON ELECTRONIC STRUCTURE: PRINCIPLES AND APPLICATIONS. - Toledo, España. 2018
Remesal, Elena R.;Graciani, Jesus;Fdez. Sanz, Javier:
Promoting Water Dissociation on TiO2 (110) Surface: The Key Role of pre-Adsorbed Potassium Atoms.. Poster en Congreso. 25th International Symposium on chemical Reaction Engineering. FLORENCE. 2018
Promoting Water Dissociation on TiO2 (110) Surface: The Key Role of pre-Adsorbed Potassium Atoms.. Poster en Congreso. 25th International Symposium on chemical Reaction Engineering. FLORENCE. 2018
Graciani, Jesus;Fdez. Sanz, Javier;Rodriguez, Jose A.;Stacchiola, Dario J.:
Understanding Ceria-based nanostructured catalysts: Water Gas Shift and Methanol Synthesis reactions example. From experiment and theory. Ponencia en Congreso. 250th American Chemical Society National Meeting & Exposition. Boston, Massachusetts, Estados Unidos de America. 2015
Understanding Ceria-based nanostructured catalysts: Water Gas Shift and Methanol Synthesis reactions example. From experiment and theory. Ponencia en Congreso. 250th American Chemical Society National Meeting & Exposition. Boston, Massachusetts, Estados Unidos de America. 2015
Graciani, Jesus;Fdez. Sanz, Javier;Stacchiola, Dario J.;Rodriguez, Jose A.:
Understanding Ceria-based nanostructured catalysts: Water Gas Shift and Methanol Synthesis reactions example. Ponencia en Congreso. Workshop on CeO2-based materials in catalysis and electrochemistry. Schloss Rauischholzhausen, Alemania. 2015
Understanding Ceria-based nanostructured catalysts: Water Gas Shift and Methanol Synthesis reactions example. Ponencia en Congreso. Workshop on CeO2-based materials in catalysis and electrochemistry. Schloss Rauischholzhausen, Alemania. 2015
Graciani-Alonso, Jesus;Stacchiola, Dario;Rodriguez, Jose A.;Fdez. Sanz, Javier:
Understanding ceria-based water-gas shift (WGS) catalysts. Ponencia en Congreso. Reducible oxide chemistry, structure and functions. COST Action CM1104. 2nd General Meeting.. . 2013
Understanding ceria-based water-gas shift (WGS) catalysts. Ponencia en Congreso. Reducible oxide chemistry, structure and functions. COST Action CM1104. 2nd General Meeting.. . 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
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;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
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;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
Mechanism of the Water-Gas Shift Reaction: Insights from First Principles Calculations.. Comunicación en congreso. Watoc2011. . 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
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:
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
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
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
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
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
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
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
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
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
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
Fdez. Sanz, Javier;Graciani-Alonso, Jesus;Rodriguez-,Jose A.:
CU, AU AND CE NANOPARTICLES SUPPORTED ON TIO2(110) AS HIGHLY EFFICIENT CATALYSTS FOR WATER GAS SHIFT REACTIONS. Comunicación en congreso. COMPUTER SIMULATION OF OXIDES: DOPANTS, DEFECTS AND SURFACES () (.2009.TRINITY COLLEGE, DUBLIN, IRLANDA). TRINITY COLLEGE, DUBLIN, IRLANDA. 2009
CU, AU AND CE NANOPARTICLES SUPPORTED ON TIO2(110) AS HIGHLY EFFICIENT CATALYSTS FOR WATER GAS SHIFT REACTIONS. Comunicación en congreso. COMPUTER SIMULATION OF OXIDES: DOPANTS, DEFECTS AND SURFACES () (.2009.TRINITY COLLEGE, DUBLIN, IRLANDA). TRINITY COLLEGE, DUBLIN, IRLANDA. 2009
Fdez. Sanz, Javier;Rodriguez-,Jose A.;Graciani-Alonso, Jesus:
CATALISIS HETEROGENEA: MECANISMO DE LAS REACCIONES EN SUPERFICIE. Comunicación en congreso. XXXV CONGRESO DE QUIMICOS TEORICOS EN ESPRESION LATINA () (.2009.ISLA DE SAN ANDRES, COLOMBIA). ISLA DE SAN ANDRES, COLOMBIA. 2009
CATALISIS HETEROGENEA: MECANISMO DE LAS REACCIONES EN SUPERFICIE. Comunicación en congreso. XXXV CONGRESO DE QUIMICOS TEORICOS EN ESPRESION LATINA () (.2009.ISLA DE SAN ANDRES, COLOMBIA). ISLA DE SAN ANDRES, COLOMBIA. 2009
Fdez. Sanz, Javier;Graciani-Alonso, Jesus;Rodriguez-,Jose A.:
MECHANISM OF SURFACE REACTIONS: INSIGHTS FROM FIRST PRINCIPLES CALCULATIONS. Comunicación en congreso. 11TH INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS (ICAM 2009) () (.2009.RIO DE JANEIRO, BRASIL). RIO DE JANEIRO, BRASIL. 2009
MECHANISM OF SURFACE REACTIONS: INSIGHTS FROM FIRST PRINCIPLES CALCULATIONS. Comunicación en congreso. 11TH INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS (ICAM 2009) () (.2009.RIO DE JANEIRO, BRASIL). RIO DE JANEIRO, BRASIL. 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
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
Yang-,Fan;Graciani-Alonso, Jesus;Senanayake-,Sanjaya D.;Park-,Joon B.;Stacchiola-,Dario;Liu-,Ping;Hrbek-,Jan;Rodriguez-,Jose A.:
THE GROWTH AND STRUCTURE OF CERIA ISLANDS ON CU(111). Comunicación en congreso. AVS 56TH INTERNATIONAL SYMPOSIUM. () (.2009.SAN JOSÉ CA (USA)). SAN JOSÉ CA (USA). 2009
THE GROWTH AND STRUCTURE OF CERIA ISLANDS ON CU(111). Comunicación en congreso. AVS 56TH INTERNATIONAL SYMPOSIUM. () (.2009.SAN JOSÉ CA (USA)). SAN JOSÉ CA (USA). 2009
Fdez. Sanz, Javier;Graciani-Alonso, Jesus;Rodriguez-,Jose A.:
WATER GAS SHIFT REACTION MECHANISM AT SURFACES: AU, CU AND CEOX NANOPARTICLES SUPPORTED ON TIO2(110). Comunicación en congreso. MOLECULAR PHOTOREACTIVITY ON METAL OXIDE SURFACES FROM FIRST PRINCIPLES () (.2009.MADRID, SPAIN). MADRID, SPAIN. 2009
WATER GAS SHIFT REACTION MECHANISM AT SURFACES: AU, CU AND CEOX NANOPARTICLES SUPPORTED ON TIO2(110). Comunicación en congreso. MOLECULAR PHOTOREACTIVITY ON METAL OXIDE SURFACES FROM FIRST PRINCIPLES () (.2009.MADRID, SPAIN). MADRID, SPAIN. 2009
Rodriguez-,Jose A.;Park-,Joon B.;Graciani-Alonso, Jesus;Evans-,Jaime;Stacchiola-,Dario;Ma-,Shuguo;Liu-,Ping;Fdez. Sanz, Javier;Hrbek-,Jan:
HIGH CATALYTIC ACTIVITY OF CEOX/AU(111) AND AU/CEOX/TIO2(110): SPECIAL PROPERTIES OF CEOX NANOPARTICLES. Comunicación en congreso. AVS 56TH INTERNATIONAL SYMPOSIUM. () (.2009.SAN JOSÉ CA (USA)). SAN JOSÉ CA (USA). 2009
HIGH CATALYTIC ACTIVITY OF CEOX/AU(111) AND AU/CEOX/TIO2(110): SPECIAL PROPERTIES OF CEOX NANOPARTICLES. Comunicación en congreso. AVS 56TH INTERNATIONAL SYMPOSIUM. () (.2009.SAN JOSÉ CA (USA)). SAN JOSÉ CA (USA). 2009
Fdez. Sanz, Javier;Graciani-Alonso, Jesus;Rodriguez-,Jose A.:
MECHANISM OF SURFACE REACTIONS: INSIGHTS FROM FIRST PRINCIPLES CALCULATIONS. Comunicación en congreso. LATIN AMERICAN SCHOOL ON COMPUTATIONAL MATERIAL SCIENCE () (.2009.SANTIAGO DE CHILE, CHILE). SANTIAGO DE CHILE, CHILE. 2009
MECHANISM OF SURFACE REACTIONS: INSIGHTS FROM FIRST PRINCIPLES CALCULATIONS. Comunicación en congreso. LATIN AMERICAN SCHOOL ON COMPUTATIONAL MATERIAL SCIENCE () (.2009.SANTIAGO DE CHILE, CHILE). SANTIAGO DE CHILE, CHILE. 2009
Graciani-Alonso, Jesus;Nambu-,Akira;Evans-,Jaime;Rodriguez-,Jose A.;Fdez. Sanz, Javier:
AU-N SYNERGY AND N-DOPING OF METAL OXIDE-BASED PHOTOCATALYSTS. Comunicación en congreso. AVS 55TH INTERNATIONAL SYMPOSIUM AND EXHIBITION (55) (55.2008.BOSTON, MA (USA)). BOSTON, MA (USA). 2008
AU-N SYNERGY AND N-DOPING OF METAL OXIDE-BASED PHOTOCATALYSTS. Comunicación en congreso. AVS 55TH INTERNATIONAL SYMPOSIUM AND EXHIBITION (55) (55.2008.BOSTON, MA (USA)). BOSTON, MA (USA). 2008
Fdez. Sanz, Javier;Graciani-Alonso, Jesus;Rodriguez-,J. A.:
GOLD ATOMS DEPOSITED ON N-DOPED TIO2 (110) RUTILE SURFACE. Comunicación en congreso. 8TH. WATOC () (.2008.SYDNEY (AUSTRALIA)). SYDNEY (AUSTRALIA). 2008
GOLD ATOMS DEPOSITED ON N-DOPED TIO2 (110) RUTILE SURFACE. Comunicación en congreso. 8TH. WATOC () (.2008.SYDNEY (AUSTRALIA)). SYDNEY (AUSTRALIA). 2008
Fdez. Sanz, Javier;Graciani-Alonso, Jesus;Rodriguez-,J. A.:
GOLD ATOMS DEPOSITED ON N-DOPED TIO2 (110) RUTILE SURFACE. Comunicación en congreso. INTERNATIONAL CONFERENCE CATALYSIS (14) (14.2008.KYOTO, JAPON). KYOTO, JAPON. 2008
GOLD ATOMS DEPOSITED ON N-DOPED TIO2 (110) RUTILE SURFACE. Comunicación en congreso. INTERNATIONAL CONFERENCE CATALYSIS (14) (14.2008.KYOTO, JAPON). KYOTO, JAPON. 2008
Park-,Joon B.;Stacchiola-,Dario;Graciani-Alonso, Jesus;Ma-,Shuguo;Nambu-,Akira;Fdez. Sanz, Javier;Rodriguez-,Jose A.;Hrbek-,Jan:
GROWTH OF CEOX NANOPARTICLES ON TIO2(110). Comunicación en congreso. AVS 55TH INTERNATIONAL SYMPOSIUM AND EXHIBITION (55) (55.2008.BOSTON, MA (USA)). BOSTON, MA (USA). 2008
GROWTH OF CEOX NANOPARTICLES ON TIO2(110). Comunicación en congreso. AVS 55TH INTERNATIONAL SYMPOSIUM AND EXHIBITION (55) (55.2008.BOSTON, MA (USA)). BOSTON, MA (USA). 2008
Márquez-Cruz, Antonio M.;Graciani-Alonso, Jesus;Fdez. Sanz, Javier:
FIRST STEPS IN THE OXIDATION OF EARLY TRANSITION METAL NITRIDES. Conferencia Congreso no publicada. GRIDCHEM COST D37 MANAGEMENT COMMITTEE AND MULTI WORKING GROUP MEETING () (.2008.BARCELONA). . 2008
FIRST STEPS IN THE OXIDATION OF EARLY TRANSITION METAL NITRIDES. Conferencia Congreso no publicada. GRIDCHEM COST D37 MANAGEMENT COMMITTEE AND MULTI WORKING GROUP MEETING () (.2008.BARCELONA). . 2008
Márquez-Cruz, Antonio M.;Fdez. Sanz, Javier;Graciani-Alonso, Jesus:
COMPUTACIÓN PARALELA EN CATÁLISIS HETEROGENEA COMPUTACIONAL. Comunicación en congreso. I REUNIÓN SOBRE E-CIENCIA ANDALUZA (PROYECTO E-CA) () (.2007.GRANADA, ESPAÑA). . 2007
COMPUTACIÓN PARALELA EN CATÁLISIS HETEROGENEA COMPUTACIONAL. Comunicación en congreso. I REUNIÓN SOBRE E-CIENCIA ANDALUZA (PROYECTO E-CA) () (.2007.GRANADA, ESPAÑA). . 2007
Graciani-Alonso, Jesus;Márquez-Cruz, Antonio M.;Fdez. Sanz, Javier:
INTERACTION OF OXYGEN WITH TIN (001) AND SCN (001): A DFT STUDY. Conferencia Congreso no publicada. THE FIFTH INTERNATIONAL WORKSHOP ON OXIDE SURFACES (IWOX-V) (5) (5.2007.LAKE TAHOE, CALIFORNIA, EE.UU.). LAKE TAHOE, CALIFORNIA, EE.UU.. 2007
INTERACTION OF OXYGEN WITH TIN (001) AND SCN (001): A DFT STUDY. Conferencia Congreso no publicada. THE FIFTH INTERNATIONAL WORKSHOP ON OXIDE SURFACES (IWOX-V) (5) (5.2007.LAKE TAHOE, CALIFORNIA, EE.UU.). LAKE TAHOE, CALIFORNIA, EE.UU.. 2007
Graciani-Alonso, Jesus;Márquez-Cruz, Antonio M.;Cruz-Hernández, Norge;Fdez. Sanz, Javier:
ADSORPTION OF CO ON SUPPORTED TRANSITION METALS: PROBING THE METAL SURFACE CHARGE FROM FIRST PRINCIPLES CALCULATIONS. Poster en Congreso. THE FIFTH INTERNATIONAL WORKSHOP ON OXIDE SURFACES (IWOX-V) (5) (5.2007.LAKE TAHOE, CALIFORNIA, EE.UU.). LAKE TAHOE, CALIFORNIA, EE.UU.. 2007
ADSORPTION OF CO ON SUPPORTED TRANSITION METALS: PROBING THE METAL SURFACE CHARGE FROM FIRST PRINCIPLES CALCULATIONS. Poster en Congreso. THE FIFTH INTERNATIONAL WORKSHOP ON OXIDE SURFACES (IWOX-V) (5) (5.2007.LAKE TAHOE, CALIFORNIA, EE.UU.). LAKE TAHOE, CALIFORNIA, EE.UU.. 2007
Graciani-Alonso, Jesus;Rodríguez-,José A;Fdez. Sanz, Javier:
DFT STUDY OF THE OXIDATION OF TIN AND SCN (001) SURFACES. Poster en Congreso. 11TH INTERNATIONAL CONFERENCE ON THEORETICAL ASPECTS OF CATALYSIS () (.2006.BERLIN). BERLIN. 2006
DFT STUDY OF THE OXIDATION OF TIN AND SCN (001) SURFACES. Poster en Congreso. 11TH INTERNATIONAL CONFERENCE ON THEORETICAL ASPECTS OF CATALYSIS () (.2006.BERLIN). BERLIN. 2006
Graciani-Alonso, Jesus;Fdez. Sanz, Javier;Márquez-Cruz, Antonio M.:
COMPUTATIONALLY PROBING THE CHARGE OF METAL ATOMS SUPPORTED ON OXIDE SURFACES. Poster en Congreso. CATALYTIC NANO-OXIDE RESEARCH AND DEVELOPMENT IN EUROPE: PRESENT AND FUTURE () (.2006.SEVILLA). . 2006
COMPUTATIONALLY PROBING THE CHARGE OF METAL ATOMS SUPPORTED ON OXIDE SURFACES. Poster en Congreso. CATALYTIC NANO-OXIDE RESEARCH AND DEVELOPMENT IN EUROPE: PRESENT AND FUTURE () (.2006.SEVILLA). . 2006
Graciani-Alonso, Jesus;Márquez-Cruz, Antonio M.;Fdez. Sanz, Javier:
THE ROLE OF VACANCIES IN THE STRUCTURE OF ALPHA-TIO: A DFT STUDY. Poster en Congreso. ESPA 2004 () (.2004.VALLADOLID). VALLADOLID. 2004
THE ROLE OF VACANCIES IN THE STRUCTURE OF ALPHA-TIO: A DFT STUDY. Poster en Congreso. ESPA 2004 () (.2004.VALLADOLID). VALLADOLID. 2004
Artículos publicados
Graciani, Jesus;Grinter, D. C.;Fdez. Sanz, Javier;Rodriguez, Jose A.:
Conversion of CO2 to Methanol and Ethanol on Pt/CeOx/TiO2(110): Enabling Role of Water in C-C Bond Formation. ACS Catalysis. 2022. Vol: 12. Pág. 15097-15109. https://pubs.acs.org/doi/pdf/10.1021/acscatal.2c03823.
Conversion of CO2 to Methanol and Ethanol on Pt/CeOx/TiO2(110): Enabling Role of Water in C-C Bond Formation. ACS Catalysis. 2022. Vol: 12. Pág. 15097-15109. https://pubs.acs.org/doi/pdf/10.1021/acscatal.2c03823.
Grinter, David;Graciani, Jesus;Palomino, Robert M.;Xu, Fang;Waluyo, Iradwikanari;Fdez. Sanz, Javier;Senanayake, Sanjaya D.;Rodriguez, José A.:
Adsorption and activation of CO2 on Pt/CeOx/TiO2(110): Role of the Pt-CeOx interface. Surface science. 2021. Vol: 710. Núm: 121852. 10.1016/j.susc.2021.121852.
Adsorption and activation of CO2 on Pt/CeOx/TiO2(110): Role of the Pt-CeOx interface. Surface science. 2021. Vol: 710. Núm: 121852. 10.1016/j.susc.2021.121852.
Rodríguez, Jose A.;Remesal, Elena R.;Graciani, Jesus; Ramírez, Pedro J.;Orozco, Ivan;Liu, Zongyuan;Senanayake, Sanjaya D.;Fdez. Sanz, Javier:
Water-Gas Shift Reaction on K/Cu(111) and Cu/K/TiO2(110) Surfaces: Alkali Promotion of Water Dissociation and Production of H2. ACS Catalysis. 2019. Vol: 9. Pág. 10751-10760. 10.1021/acscatal.9b03922.
Water-Gas Shift Reaction on K/Cu(111) and Cu/K/TiO2(110) Surfaces: Alkali Promotion of Water Dissociation and Production of H2. ACS Catalysis. 2019. Vol: 9. Pág. 10751-10760. 10.1021/acscatal.9b03922.
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. Chemphyschem. 2019. Vol: 20. Pág. 1624-1629. 10.1002/cphc.201900141.
Understanding the Photocatalytic Properties of Pt/CeOx/TiO2: Structural Effects on Electronic and Optical Properties. Chemphyschem. 2019. Vol: 20. Pág. 1624-1629. 10.1002/cphc.201900141.
Remesal, Elena R.;Fdez. Sanz, Javier;Graciani-Alonso, Jesus:
Potassium and water coadsorption on TiO2(110): OH-Induced anchoring of potassium and the generation of single-site catalysts. The Journal of Physical Chemistry Letters. 2017. Vol: 7. Núm: 19. Pág. 3866-3872. 10.1021/acs.jpclett.6b01623.
Potassium and water coadsorption on TiO2(110): OH-Induced anchoring of potassium and the generation of single-site catalysts. The Journal of Physical Chemistry Letters. 2017. Vol: 7. Núm: 19. Pág. 3866-3872. 10.1021/acs.jpclett.6b01623.
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. ACS Catalysis. 2016. Vol: 6. Pág. 4608-4615. 10.1021/acscatal.6b00948.
Cu Deposited on CeOx-Modified TiO2(110): Synergistic Effects at the Metal¿Oxide Interface and the Mechanism of the WGS Reaction. ACS Catalysis. 2016. Vol: 6. Pág. 4608-4615. 10.1021/acscatal.6b00948.
Remesal, Elena R.;Amaya Suarez, Javier;Graciani, Jesus;Márquez-Cruz, Antonio M.;Fdez. Sanz, Javier:
Adsorption of prototypical amino acids on silica: Influence of the pre-adsorbed water multilayer. Surface science. 2016. Vol: 646. Pág. 239-246. 10.1016/j.susc.2015.07.012.
Adsorption of prototypical amino acids on silica: Influence of the pre-adsorbed water multilayer. Surface science. 2016. Vol: 646. Pág. 239-246. 10.1016/j.susc.2015.07.012.
Rodriguez, Jose A.;Liu, Ping;Graciani-Alonso, Jesus;Senanayake, Sanjaya D.;Grinter, David C.;Stacchiola, Dario;Hrbek, Jan;Fdez. Sanz, Javier:
Inverse Oxide/Metal Catalysts in Fundamental Studies and Practical Applications: A Perspective of Recent Developments. The Journal of Physical Chemistry Letters. 2016. Vol: 7. Núm: 13. Pág. 2627-2639. 10.1021/acs.jpclett.6b00499.
Inverse Oxide/Metal Catalysts in Fundamental Studies and Practical Applications: A Perspective of Recent Developments. The Journal of Physical Chemistry Letters. 2016. Vol: 7. Núm: 13. Pág. 2627-2639. 10.1021/acs.jpclett.6b00499.
Yang, Xiaofang;Chen, Jingguang G.;Kattel, Shyam;Senanayake, Sanjaya D.;Boscoboinik, J. Anibal;Nie, Xiaowa;Graciani, Jesus;Rodriguez, Jose A.;Liu, Ping;Stacchiola, Dario J.:
Low Pressure CO2 Hydrogenation to Methanol over Gold Nanoparticles Activated on a CeOx/TiO2 Interface. Journal of the American Chemical Society. 2015. Vol: 137. Núm: 32. Pág. 10104-10107. 10.1021/jacs.5b06150.
Low Pressure CO2 Hydrogenation to Methanol over Gold Nanoparticles Activated on a CeOx/TiO2 Interface. Journal of the American Chemical Society. 2015. Vol: 137. Núm: 32. Pág. 10104-10107. 10.1021/jacs.5b06150.
Graciani-Alonso, Jesus;Fdez. Sanz, Javier:
Designing a new generation of catalysts: Water gas shift reaction example. Catalysis Today. 2015. Vol: 240. Pág. 214-219. 10.1016/j.cattod.2014.01.071.
Designing a new generation of catalysts: Water gas shift reaction example. Catalysis Today. 2015. Vol: 240. Pág. 214-219. 10.1016/j.cattod.2014.01.071.
Graciani-Alonso, Jesus;Vidal, Alba;Rodríguez, José A.;Fdez. Sanz, Javier:
Unraveling the Nature of the Oxide-Metal Interaction in Ceria-Based Noble Metal Inverse Catalysts. The Journal of Physical Chemistry C. 2014. Vol: 118. Núm: 46. Pág. 26931-26938. 10.1021/jp509947t.
Unraveling the Nature of the Oxide-Metal Interaction in Ceria-Based Noble Metal Inverse Catalysts. The Journal of Physical Chemistry C. 2014. Vol: 118. Núm: 46. Pág. 26931-26938. 10.1021/jp509947t.
Graciani-Alonso, Jesus;Fdez. Sanz, Javier;Rodríguez, José A.;Mudiyanselage, Kumudu;Xu, Fang;Baber, Ashleigh E.;Evans, Jaime;Senanayake, Sanjaya D.;Stacchiola, Darío J.;Liu, Ping;Hrbek, Jan:
Highly active copper-ceria and copper-ceria-titania catalysts for methanol synthesis from CO2. Science. 2014. Vol: 345. Pág. 546-550. 10.1126/science.1253057.
Highly active copper-ceria and copper-ceria-titania catalysts for methanol synthesis from CO2. Science. 2014. Vol: 345. Pág. 546-550. 10.1126/science.1253057.
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. The Journal of Physical Chemistry C. 2013. Vol: 117. Núm: 28. Pág. 14463-14471. 10.1021/jp3125268.
Nature of the Mixed-Oxide Interface in Ceria-Titania Catalysts: Clusters, Chains, and Nanoparticles. The Journal of Physical Chemistry C. 2013. Vol: 117. Núm: 28. Pág. 14463-14471. 10.1021/jp3125268.
Mudiyanselage, Kumudu;Chang, Rui;Axnanda, Stephanus;Liu, Zhi;Fdez. Sanz, Javier;Liu, Ping;Rodriguez, Jose A.;Senanayake, Sanjaya D.;FERIA-HERNANDEZ, LETICIA;Kundu, Shankhamala;Baber, Ashleigh E.;Graciani-Alonso, Jesus;Vidal, Alba B.;Agnoli, Stefano;Evans, Jaime:
Importance of the Metal-Oxide Interface in Catalysis: In Situ Studies of the Water-Gas Shift Reaction by Ambient-Pressure X-ray Photoelectron Spectros. Angewandte Chemie (International Edition). 2013. Vol: 52. Núm: 19. Pág. 5101-5105. 10.1002/anie.201210077.
Importance of the Metal-Oxide Interface in Catalysis: In Situ Studies of the Water-Gas Shift Reaction by Ambient-Pressure X-ray Photoelectron Spectros. Angewandte Chemie (International Edition). 2013. Vol: 52. Núm: 19. Pág. 5101-5105. 10.1002/anie.201210077.
Yang, Fan;Graciani-Alonso, Jesus;Evans, Jaime;Liu, Ping;Hrbek, Jan;Fdez. Sanz, Javier;Rodríguez, José A.:
CO Oxidation on Inverse CeOx/Cu(111) Catalysts: High Catalytic Activity and Ceria-Promoted Dissociation of O2. Journal of the American Chemical Society. 2011. Vol: 133. Núm: 10. Pág. 3444-3451. 10.1021/ja1087979.
CO Oxidation on Inverse CeOx/Cu(111) Catalysts: High Catalytic Activity and Ceria-Promoted Dissociation of O2. Journal of the American Chemical Society. 2011. Vol: 133. Núm: 10. Pág. 3444-3451. 10.1021/ja1087979.
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. Journal of Chemical Theory and Computation. 2011. Vol: 7. Pág. 56-65.
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. 2011. Vol: 7. Pág. 56-65.
Ortega-García, Yanaris;Cruz-Hernández, Norge;Menéndez-Proupin, E.;Graciani-Alonso, Jesus;Fdez. Sanz, Javier:
NITROGEN/GOLD CODOPING OF THE TIO2(101) ANATASE SURFACE. A THEORETICAL STUDY BASED ON DFT CALCULATIONS.. Physical Chemistry Chemical Physics. 2011. Vol: 13. Núm: 23. Pág. 11340-11350. 10.1039/c0cp02470h.
NITROGEN/GOLD CODOPING OF THE TIO2(101) ANATASE SURFACE. A THEORETICAL STUDY BASED ON DFT CALCULATIONS.. Physical Chemistry Chemical Physics. 2011. Vol: 13. Núm: 23. Pág. 11340-11350. 10.1039/c0cp02470h.
Yang, Fan;Fdez. Sanz, Javier;Rodríguez, José A.;Shankhamala, Kundu;Vidal, Alba B.;Graciani-Alonso, Jesus;Ramirez, Pedro J.;Senanayake, Sanjaya D.;Stacchiola, Dario;Evans, Jaime;Liu, Ping:
Determining the Behavior of RuOx Nanoparticles in Mixed-Metal Oxides: Structural and Catalytic Properties of RuO2/TiO2(110) Surfaces. Angewandte Chemie (International Edition). 2011. Vol: 50. Núm: 43. Pág. 10198-10202. 10.1002/anie.201103798.
Determining the Behavior of RuOx Nanoparticles in Mixed-Metal Oxides: Structural and Catalytic Properties of RuO2/TiO2(110) Surfaces. Angewandte Chemie (International Edition). 2011. Vol: 50. Núm: 43. Pág. 10198-10202. 10.1002/anie.201103798.
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. The Journal of Chemical Physics. 2010. Vol: 132. Pág. 104703-1-104703-8.
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. The Journal of Chemical Physics. 2010. Vol: 132. Pág. 104703-1-104703-8.
Park-,Joon B.;Graciani-Alonso, Jesus;Evans-,Jaime;Stacchiola-,Dario;Senanayake-,Sanjaya D.;Barrio-,Laura;Liu-,Ping;Fdez. Sanz, Javier;Hrbek-,Jan;Rodriguez-,Jose A.:
GOLD, COPPER, AND PLATINUM NANOPARTICLES DISPERSED ON CEOX/TIO2(110) SURFACES: HIGH WATER-GAS SHIFT ACTIVITY AND THE NATURE OF THE MIXED-METAL OXIDE A. Journal of Physics and Chemistry of Solids. 2010. Vol: 132. Pág. 356-363.
GOLD, COPPER, AND PLATINUM NANOPARTICLES DISPERSED ON CEOX/TIO2(110) SURFACES: HIGH WATER-GAS SHIFT ACTIVITY AND THE NATURE OF THE MIXED-METAL OXIDE A. Journal of Physics and Chemistry of Solids. 2010. Vol: 132. Pág. 356-363.
Márquez-Cruz, Antonio M.;Graciani-Alonso, Jesus;Fdez. Sanz, Javier:
CHARGE STATE OF METAL ATOMS ON OXIDE SUPPORTS: A SYSTEMATIC STUDY BASED ON SIMULATED INFRARED SPECTROSCOPY AND DENSITY FUNCTIONAL THEORY. Theoretical Chemistry Accounts. 2010. Vol: 126. Pág. 265-273.
CHARGE STATE OF METAL ATOMS ON OXIDE SUPPORTS: A SYSTEMATIC STUDY BASED ON SIMULATED INFRARED SPECTROSCOPY AND DENSITY FUNCTIONAL THEORY. Theoretical Chemistry Accounts. 2010. Vol: 126. Pág. 265-273.
Graciani-Alonso, Jesus;Fernández-Sanz, Javier;Márquez-Cruz, Antonio M.:
A DENSITY FUNCTIONAL STUDY OF INITIAL STEPS IN THE OXIDATION OF EARLY TRANSITION METAL NITRIDES, MN (M = SC, TI, AND V). The Journal of Physical Chemistry C. 2009. Vol: 113. Núm: 3. Pág. 930-938.
A DENSITY FUNCTIONAL STUDY OF INITIAL STEPS IN THE OXIDATION OF EARLY TRANSITION METAL NITRIDES, MN (M = SC, TI, AND V). The Journal of Physical Chemistry C. 2009. Vol: 113. Núm: 3. Pág. 930-938.
Rodriguez-,Jose A.;Evans-,Jaime;Graciani-Alonso, Jesus;Park-,Joon B.;Liu-,Ping;Hrbek-,Jan;Fdez. Sanz, Javier:
HIGH WATER-GAS SHIFT ACTIVITY IN TIO2(110) SUPPORTED CU AND AU NANOPARTICLES: ROLE OF THE OXIDE AND METAL PARTICLE SIZE. The Journal of Physical Chemistry C. 2009. Vol: 113. Pág. 7364-7370.
HIGH WATER-GAS SHIFT ACTIVITY IN TIO2(110) SUPPORTED CU AND AU NANOPARTICLES: ROLE OF THE OXIDE AND METAL PARTICLE SIZE. The Journal of Physical Chemistry C. 2009. Vol: 113. Pág. 7364-7370.
Graciani-Alonso, Jesus;Hamad-,Said;Fdez. Sanz, Javier:
CHANGING THE PHYSICAL AND CHEMICAL PROPERTIES OF TITANIUM OXYNITRIDES TIN1−XOX BY CHANGING THE COMPOSITION. Physical Review B: Condensed Matter and Materials Physics. 2009. Vol: 80. Pág. 184112-1-184112-10.
CHANGING THE PHYSICAL AND CHEMICAL PROPERTIES OF TITANIUM OXYNITRIDES TIN1−XOX BY CHANGING THE COMPOSITION. Physical Review B: Condensed Matter and Materials Physics. 2009. Vol: 80. Pág. 184112-1-184112-10.
Park-,Joon B.;Graciani-Alonso, Jesus;Evans-,Jaime;Stacchiola-,Dario;Ma-,Shuguo;Liu-,Ping;Nambu-,Akira;Fdez. Sanz, Javier;Hrbek-,Jan;Rodriguez-,Jose A.:
HIGH CATALYTIC ACTIVITY OF AU/CEOX/TIO2(110) CONTROLLED BY THE NATURE OF THE MIXED-METAL OXIDE AT THE NANOMETER LEVEL. Proceedings of the National Academy of Sciences of the United States of America (PNAS). 2009. Vol: 106. Núm: 13. Pág. 4975-4980.
HIGH CATALYTIC ACTIVITY OF AU/CEOX/TIO2(110) CONTROLLED BY THE NATURE OF THE MIXED-METAL OXIDE AT THE NANOMETER LEVEL. Proceedings of the National Academy of Sciences of the United States of America (PNAS). 2009. Vol: 106. Núm: 13. Pág. 4975-4980.
Pérez;Rodriguez-,Jose A.;Graciani-Alonso, Jesus;Hrbek-,Jan;Evans-,Jaime;Park-,Joon B.;Yang-,Fan;Stacchiola-,Dario;Senanayake-,Sanjaya D.;Ma-,Shuguo;-,Manuel;Liu-,Ping:
WATER-GAS SHIFT REACTION ON A HIGHLY ACTIVE INVERSE CEOX/CU(111) CATALYST: UNIQUE ROLE OF CERIA NANOPARTICLES. Angewandte Chemie (International Edition). 2009. Vol: 48. Pág. 8047-8050.
WATER-GAS SHIFT REACTION ON A HIGHLY ACTIVE INVERSE CEOX/CU(111) CATALYST: UNIQUE ROLE OF CERIA NANOPARTICLES. Angewandte Chemie (International Edition). 2009. Vol: 48. Pág. 8047-8050.
Graciani-Alonso, Jesus;Ortega-García, Yanaris;Fdez. Sanz, Javier:
STABILITY OF C-DOPED TIO2 (110) RUTILE SURFACE. A THEORETICAL STUDY BASED ON DFT. Chemistry of Materials. 2009. Vol: 21. Pág. 1431-1438.
STABILITY OF C-DOPED TIO2 (110) RUTILE SURFACE. A THEORETICAL STUDY BASED ON DFT. Chemistry of Materials. 2009. Vol: 21. Pág. 1431-1438.
Graciani-Alonso, Jesus;Nambu-,Akira;Evans-,Jaime;Rodriguez-,Jose A.;Fernández-Sanz, Javier:
AU ? N SYNERGY AND N-DOPING OF METAL OXIDE-BASED PHOTOCATALYSTS. Journal of Physics and Chemistry of Solids. 2008. Vol: 130. Núm: 36. Pág. 12056-12063.
AU ? N SYNERGY AND N-DOPING OF METAL OXIDE-BASED PHOTOCATALYSTS. Journal of Physics and Chemistry of Solids. 2008. Vol: 130. Núm: 36. Pág. 12056-12063.
Graciani-Alonso, Jesus;Alvarez-, Luis Javier;Rodríguez-,José A;Fernández-Sanz, Javier:
N DOPING OF RUTILE TIO2 (110) SURFACE. A THEORETICAL DFT STUDY. The Journal of Physical Chemistry C. 2008. Vol: 112. Núm: 7. Pág. 2624-2631.
N DOPING OF RUTILE TIO2 (110) SURFACE. A THEORETICAL DFT STUDY. The Journal of Physical Chemistry C. 2008. Vol: 112. Núm: 7. Pág. 2624-2631.
Chen-,Haiyan;Nambu-,Akira;Wen-,Wen;Graciani-Alonso, Jesus;Zhong-,Zhong;Hanson-,Jonathan C.;Fujita-,Etsuko;Rodríguez-,José A:
REACTION OF NH3 WITH TITANIA: N-DOPING OF THE OXIDE AND TIN FORMATION. The Journal of Physical Chemistry C. 2007. Vol: 111. Núm: 3. Pág. 1366-1372.
REACTION OF NH3 WITH TITANIA: N-DOPING OF THE OXIDE AND TIN FORMATION. The Journal of Physical Chemistry C. 2007. Vol: 111. Núm: 3. Pág. 1366-1372.
Graciani-Alonso, Jesus;Fernández-Sanz, Javier;Asaki-,T.;Nakamura-,K.;Rodríguez-,José A:
INTERACTION OF OXYGEN WITH TIN(001): N<-->O EXCHANGE AND OXIDATION PROCESS.. The Journal of Chemical Physics. 2007. Vol: 126. Núm: 24. Pág. 244713-244713.
INTERACTION OF OXYGEN WITH TIN(001): N<-->O EXCHANGE AND OXIDATION PROCESS.. The Journal of Chemical Physics. 2007. Vol: 126. Núm: 24. Pág. 244713-244713.
Nambu-,A.;Graciani-Alonso, Jesus;Rodriguez-,J. A.;Fernández-Sanz, Javier:
N DOPING OF TIO2(110): PHOTOEMISSION AND DENSITY-FUNCTIONAL STUDIES. The Journal of Chemical Physics. 2006. Vol: 125. Núm: 9. Pág. 094706-1-094706-8.
N DOPING OF TIO2(110): PHOTOEMISSION AND DENSITY-FUNCTIONAL STUDIES. The Journal of Chemical Physics. 2006. Vol: 125. Núm: 9. Pág. 094706-1-094706-8.
Graciani-Alonso, Jesus;Oviedo-López, Jaime;Fernández-Sanz, Javier:
V@AU-12(-): AN IMPROVED NOVEL CATALYST FOR CO OXIDATION?. The Journal of Physical Chemistry B. 2006. Vol: 110. Núm: 23. Pág. 11600-11603.
V@AU-12(-): AN IMPROVED NOVEL CATALYST FOR CO OXIDATION?. The Journal of Physical Chemistry B. 2006. Vol: 110. Núm: 23. Pág. 11600-11603.
Cruz-Hernández, Norge;Graciani-Alonso, Jesus;Márquez-Cruz, Antonio M.;Fernández-Sanz, Javier:
CU, AG AND AU ATOMS DEPOSITED ON THE [ALPHA]-AL2O3(0 0 0 1) SURFACE: A COMPARATIVE DENSITY FUNCTIONAL STUDY. Surface science. 2005. Vol: 575. Núm: 1-2. Pág. 189-196.
CU, AG AND AU ATOMS DEPOSITED ON THE [ALPHA]-AL2O3(0 0 0 1) SURFACE: A COMPARATIVE DENSITY FUNCTIONAL STUDY. Surface science. 2005. Vol: 575. Núm: 1-2. Pág. 189-196.
Graciani-Alonso, Jesus;Márquez-Cruz, Antonio M.;Fernández-Sanz, Javier:
ROLE OF VACANCIES IN THE STRUCTURAL STABILITY OF ALPHA-TIO: A FIRST-PRINCIPLES STUDY BASED ON DENSITY-FUNCTIONAL CALCULATIONS. Physical review. B, Condensed Matter. 2005. Vol: 72. Núm: 5. Pág. 1-6.
ROLE OF VACANCIES IN THE STRUCTURAL STABILITY OF ALPHA-TIO: A FIRST-PRINCIPLES STUDY BASED ON DENSITY-FUNCTIONAL CALCULATIONS. Physical review. B, Condensed Matter. 2005. Vol: 72. Núm: 5. Pág. 1-6.
Jimenez-Sindreu, Rafael;Hernández-Domínguez, María;Graciani-Alonso, Jesus;Lopez-Cornejo, María Del Pilar;Prado-Gotor, Rafael:
MICELLAR EFFECTS ON A LIGAND SUBSTITUTION REACTION: KINETICS OF THE FORMATION OF [FE(CN)(5)(MU-PZ)RU(NH3)(5)](-), FROM [FE(CN)(5)H2O](3-) AND [RU(NH3). International Journal of Chemical Kinetics. 2004. Vol: 36. Núm: 12. Pág. 627-633.
MICELLAR EFFECTS ON A LIGAND SUBSTITUTION REACTION: KINETICS OF THE FORMATION OF [FE(CN)(5)(MU-PZ)RU(NH3)(5)](-), FROM [FE(CN)(5)H2O](3-) AND [RU(NH3). International Journal of Chemical Kinetics. 2004. Vol: 36. Núm: 12. Pág. 627-633.
Cruz-Hernández, Norge;Graciani-Alonso, Jesus;Fernández-Sanz, Javier:
RELAXATION OF THE (001) SURFACE IN BINARY SC, TI AND V NITRIDES: A FIRST PRINCIPLES DENSITY FUNCTIONAL STUDY. Surface science. 2003. Vol: 541. Núm: 1-3. Pág. 217-224.
RELAXATION OF THE (001) SURFACE IN BINARY SC, TI AND V NITRIDES: A FIRST PRINCIPLES DENSITY FUNCTIONAL STUDY. Surface science. 2003. Vol: 541. Núm: 1-3. Pág. 217-224.
