Structural, electronic and optical properties of copper, silver and gold sulfide: a DFT study J Amaya Suárez, JJ Plata, AM Márquez, JF Sanz Theoretical Chemistry Accounts 135 (3), 70, 2016 | 42* | 2016 |
Adsorption of prototypical asphaltenes on silica: first-principles DFT simulations including dispersion corrections A Torres, J Amaya Suárez, E R. Remesal, AM Márquez, ... The Journal of Physical Chemistry B 122 (2), 618-624, 2018 | 31 | 2018 |
Molecular dynamics simulations of the role of salinity and temperature on the hydrocarbon/water interfacial tension ER Remesal, J Amaya Suárez, AM Márquez, JF Sanz, C Rincón, J Guitián Theoretical Chemistry Accounts 136 (6), 66, 2017 | 21 | 2017 |
Ag2S Quantum Dot-Sensitized Solar Cells by First Principles: The Effect of Capping Ligands and Linkers J Amaya Suarez, JJ Plata, AM Márquez, J Fernandez Sanz The Journal of Physical Chemistry A 121 (38), 7290-7296, 2017 | 18 | 2017 |
Photo-sensitizing thin-film ferroelectric oxides using materials databases and high-throughput calculations JJ Plata, JA Suárez, S Cuesta-López, AM Márquez, JF Sanz Journal of Materials Chemistry A 7 (48), 27323-27333, 2019 | 13 | 2019 |
Adsorption of prototypical amino acids on silica: Influence of the pre-adsorbed water multilayer ER Remesal, J Amaya, J Graciani, AM Marquez, JF Sanz Surface Science 646, 239-246, 2016 | 13 | 2016 |
Effects of the capping ligands, linkers and oxide surface on the electron injection mechanism of copper sulfide quantum dot-sensitized solar cells JA Suárez, JJ Plata, AM Márquez, JF Sanz Physical Chemistry Chemical Physics 19 (22), 14580-14587, 2017 | 12 | 2017 |
First-principles study of nickel complex with 1, 3-dithiole-2-thione-4, 5-dithiolate ligands as model photosensitizers LWC Paes, J Amaya Suárez, AM Márquez, JF Sanz Theoretical Chemistry Accounts 136 (6), 71, 2017 | 8 | 2017 |
Catalytic activity of PtCu intermetallic compound for CO oxidation: A theoretical insight JA Suárez, JJ Plata, AM Marquez, JF Sanz Catalysis Today 383, 339-344, 2022 | 6 | 2022 |
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 … LWC Paes, JA Suarez, AM Márquez, AG Bernardo da Cruz, JF Sanz Theoretical Chemistry Accounts 138, 1-11, 2019 | 4 | 2019 |
Optoelectronic properties of Ag2S/graphene and FeS2/graphene nanostructures and interfaces: A density functional study including dispersion forces J Amaya Suárez, C García-Prieto, MD Fernández-Martínez, ER Remesal, ... Journal of Materials Research 37 (5), 1047-1058, 2022 | 2 | 2022 |
Computational modeling of carbon dioxide catalytic conversion J Amaya Suárez, ER Remesal, JJ Plata, AM Márquez, J Fernández Sanz Engineering Solutions for CO2 Conversion, 85-103, 2021 | 2 | 2021 |
Propiedades optoelectrónicas de óxidos y sulfuros metálicos JA Suárez Universidad de Sevilla, 2019 | 1 | 2019 |
Optoelectronic properties of Ag JA Suárez, C García‑Prieto, MD Fernández‑Martínez, ER Remesal, ... | | 2022 |
Propiedades optoelectrónicas de óxidos y sulfuros metálicos J Amaya Suárez | | 2019 |
Improving the activity of gold nanoparticles for the water-gas shift reaction using TiO2–Y2O3: an example of catalyst design JJ Plata Ramos, F Romero Sarria, J Amaya Suárez, AM Márquez Cruz, ... Physical Chemistry Chemical Physics, 20, 22076-22083., 2018 | | 2018 |