Alkali and transition metal atom-functionalized germanene for hydrogen storage: a DFT investigation AN Sosa, F de Santiago, Á Miranda, A Trejo, F Salazar, LA Pérez, ... International Journal of Hydrogen Energy 46 (38), 20245-20256, 2021 | 74 | 2021 |
Silicon nanowires as potential gas sensors: A density functional study A Miranda, F De Santiago, LA Pérez, M Cruz-Irisson Sensors and Actuators B: Chemical 242, 1246-1250, 2017 | 49 | 2017 |
Hydrogen storage capacities of alkali and alkaline-earth metal atoms on SiC monolayer: a first-principles study LG Arellano, F de Santiago, Á Miranda, F Salazar, A Trejo, LA Pérez, ... International Journal of Hydrogen Energy 46 (38), 20266-20279, 2021 | 47 | 2021 |
Ab initio study of hydrogen storage on metal-decorated GeC monolayers LG Arellano, F De Santiago, Á Miranda, LA Pérez, F Salazar, A Trejo, ... International Journal of Hydrogen Energy 46 (57), 29261-29271, 2021 | 45 | 2021 |
Carbon monoxide sensing properties of B-, Al-and Ga-doped Si nanowires F De Santiago, A Trejo, A Miranda, F Salazar, E Carvajal, LA Pérez, ... Nanotechnology 29 (20), 204001, 2018 | 23 | 2018 |
Theoretical modelling of porous silicon decorated with metal atoms for hydrogen storage I González, F De Santiago, LG Arellano, Á Miranda, A Trejo, F Salazar, ... International Journal of Hydrogen Energy 45 (49), 26321-26333, 2020 | 18 | 2020 |
Quasi-one-dimensional silicon nanostructures for gas molecule adsorption: a DFT investigation F de Santiago, JE Santana, Á Miranda, A Trejo, R Vázquez-Medina, ... Applied Surface Science 475, 278-284, 2019 | 18 | 2019 |
Lithiation effects on the structural and electronic properties of Si nanowires as a potential anode material F De Santiago, JE González, A Miranda, A Trejo, F Salazar, LA Pérez, ... Energy Storage Materials 20, 438-445, 2019 | 17 | 2019 |
First principles band gap engineering of [1 1 0] oriented 3C-SiC nanowires JL Cuevas, F De Santiago, J Ramírez, A Trejo, Á Miranda, LA Pérez, ... Computational Materials Science 142, 268-276, 2018 | 16 | 2018 |
Quantum confinement effects on the harmful‐gas‐sensing properties of silicon nanowires F de Santiago, Á Miranda, A Trejo, F Salazar, E Carvajal, M Cruz‐Irisson, ... International Journal of Quantum Chemistry 118 (20), e25713, 2018 | 12 | 2018 |
Band-gap engineering of halogenated silicon nanowires through molecular doping F de Santiago, A Trejo, A Miranda, E Carvajal, LA Pérez, M Cruz-Irisson Journal of Molecular Modeling 23, 1-7, 2017 | 12 | 2017 |
Hydrogen storage on tin carbide monolayers with transition metal adatoms LG Arellano, AL Marcos-Viquez, F De Santiago, Á Miranda, LA Pérez, ... International Journal of Hydrogen Energy 48 (96), 37500-37509, 2023 | 11 | 2023 |
Adsorption of urea on metal-functionalized Si nanowires for a potential uremia diagnosis: A DFT study JE Santana, F De Santiago, MI Iturrios, Á Miranda, LA Pérez, ... Materials Letters 298, 130016, 2021 | 8 | 2021 |
Hydrogen storage on bidimensional GeC with transition metal adatoms LG Arellano, F De Santiago, Á Miranda, IJ Hernández-Hernández, ... Materials Letters 300, 130239, 2021 | 6 | 2021 |
Silicon nanowires as acetone-adsorptive media for diabetes diagnosis F De Santiago, JE Santana, Á Miranda, LA Pérez, R Rurali, ... Applied Surface Science 547, 149175, 2021 | 6 | 2021 |
Fluorinated porous silicon as sensor material for environmentally toxic gases: a first-principles study JE Santana, F de Santiago, Á Miranda, LA Pérez, F Salazar, A Trejo, ... Materials Advances 2 (3), 1072-1082, 2021 | 6 | 2021 |
DFT investigation of metal-decorated silicon carbide nanosheets for the adsorption of NH3 LG Arellano, BJ Cid, JE Santana, F De Santiago, Á Miranda, A Trejo, ... Materials Today Communications 36, 106704, 2023 | 4 | 2023 |
Highly sensitive amphetamine drug detection based on silicon nanowires: Theoretical investigation JE Santana, AN Sosa, F De Santiago, Á Miranda, LA Pérez, A Trejo, ... Surfaces and Interfaces 36, 102584, 2023 | 4 | 2023 |
Selective sensing of DNA/RNA nucleobases by metal-functionalized silicon nanowires: A DFT approach JE Santana, KJ García, F De Santiago, Á Miranda, SE Pérez-Figueroa, ... Surfaces and Interfaces 36, 102529, 2023 | 4 | 2023 |
Tunable thermal conductivity of ternary alloy semiconductors from first-principles F De Santiago, M Raya-Moreno, Á Miranda, M Cruz-Irisson, X Cartoixà, ... Journal of Physics D: Applied Physics 54 (33), 335302, 2021 | 2 | 2021 |