Adsorption of Prototypical Asphaltenes on Silica: First-Principles DFT Simulations Including Dispersion Corrections
Torres, Arturo, Amaya Suárez, Javier, R. Remesal, Elena, Márquez, Antonio M, Fernández Sanz, Javier, Rincón Cañibano, Cristina
Published in The journal of physical chemistry. B (18.01.2018)
Published in The journal of physical chemistry. B (18.01.2018)
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Journal Article
Potassium and Water Coadsorption on TiO2(110): OH-Induced Anchoring of Potassium and the Generation of Single-Site Catalysts
Grinter, David C, R. Remesal, Elena, Luo, Si, Evans, Jaime, Senanayake, Sanjaya D, Stacchiola, Dario J, Graciani, Jesus, Fernández Sanz, Javier, Rodriguez, José A
Published in The journal of physical chemistry letters (06.10.2016)
Published in The journal of physical chemistry letters (06.10.2016)
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Journal Article
Water–Gas Shift Reaction on K/Cu(111) and Cu/K/TiO2(110) Surfaces: Alkali Promotion of Water Dissociation and Production of H2
Rodriguez, José A, Remesal, Elena R, Ramírez, Pedro J, Orozco, Ivan, Liu, Zongyuan, Graciani, Jesus, Senanayake, Sanjaya D, Sanz, Javier Fernandez
Published in ACS catalysis (06.12.2019)
Published in ACS catalysis (06.12.2019)
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Journal Article
Optoelectronic properties of Ag2S/graphene and FeS2/graphene nanostructures and interfaces: A density functional study including dispersion forces
Amaya Suárez, Javier, García-Prieto, Cristina, Fernández-Martínez, M. Dolores, Remesal, Elena R., Márquez, Antonio M., Fernández Sanz, Javier
Published in Journal of materials research (14.03.2022)
Published in Journal of materials research (14.03.2022)
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Journal Article
Molecular dynamics simulations of the role of salinity and temperature on the hydrocarbon/water interfacial tension
Remesal, Elena R., Suárez, Javier Amaya, Márquez, Antonio M., Sanz, Javier Fdez, Rincón, Cristina, Guitián, José
Published in Theoretical chemistry accounts (01.06.2017)
Published in Theoretical chemistry accounts (01.06.2017)
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Journal Article
Adsorption of prototypical amino acids on silica: Influence of the pre-adsorbed water multilayer
Remesal, Elena R., Amaya, Javier, Graciani, Jesús, Márquez, Antonio M., Sanz, Javier Fdez
Published in Surface science (01.04.2016)
Published in Surface science (01.04.2016)
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Journal Article
Potassium and Water Coadsorption on TiO 2 (110): OH-Induced Anchoring of Potassium and the Generation of Single-Site Catalysts
Grinter, David C, R Remesal, Elena, Luo, Si, Evans, Jaime, Senanayake, Sanjaya D, Stacchiola, Dario J, Graciani, Jesus, Fernández Sanz, Javier, Rodriguez, José A
Published in The journal of physical chemistry letters (06.10.2016)
Published in The journal of physical chemistry letters (06.10.2016)
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Journal Article
Role of N Doping in the Reduction of Titania Nanostructures
R Remesal, Elena, Morales-García, Ángel, Illas, Francesc
Published in Journal of physical chemistry. C (12.10.2023)
Published in Journal of physical chemistry. C (12.10.2023)
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Journal Article
Enhancing the Thermoelectric Figure of Merit of BiN via Polymorphism, Pressure, and Nanostructuring
Remesal, Elena R., Posligua, Victor, Mahillo-Paniagua, Miguel, Glazyrin, Konstantin, Fernández Sanz, Javier, Márquez, Antonio, Plata Ramos, Jose Javier
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2024)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2024)
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Journal Article
Structural and Electronic Properties of Metal/Oxide Nanostructures from First‐Principles: Ru 13 Supported on (TiO 2 ) 84 as a Case Study (Adv. Theory Simul. 10/2023)
Allès, Miquel, Remesal, Elena R., Illas, Francesc, Morales‐García, Ángel
Published in Advanced theory and simulations (01.10.2023)
Published in Advanced theory and simulations (01.10.2023)
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Journal Article
Water–Gas Shift Reaction on K/Cu(111) and Cu/K/TiO 2 (110) Surfaces: Alkali Promotion of Water Dissociation and Production of H 2
Rodriguez, José A., Remesal, Elena R., Ramírez, Pedro J., Orozco, Ivan, Liu, Zongyuan, Graciani, Jesus, Senanayake, Sanjaya D., Sanz, Javier Fernandez
Published in ACS catalysis (06.12.2019)
Published in ACS catalysis (06.12.2019)
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Journal Article
Computational Modeling of Carbon Dioxide Catalytic Conversion
Published in Engineering Solutions for CO2 Conversion
(2021)
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Book Chapter
Analysis of the variables that modify the robustness of Ti-SiO2 catalysts for alkene epoxidation: Role of silylation, deactivation and potential solutions
Plata, Jose J., Pacheco, Laura C., Remesal, Elena R., Masa, María O., Vega, Luis, Márquez, Antonio M., Odriozola, José A., Sanz, Javier Fdez
Published in Molecular catalysis (01.11.2018)
Published in Molecular catalysis (01.11.2018)
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Journal Article