| Understanding the selectivity of the oxygen reduction reaction at the atomistic level on nitrogen‐doped graphitic carbon materials HN Fernandez‐Escamilla, J Guerrero‐Sanchez, E Contreras, ... Advanced Energy Materials 11 (3), 2002459, 2021 | 73 | 2021 |
| Doped penta-graphene and hydrogenation of its related structures: a structural and electronic DFT-D study JJ Quijano-Briones, HN Fernández-Escamilla, A Tlahuice-Flores Physical Chemistry Chemical Physics 18 (23), 15505-15509, 2016 | 39 | 2016 |
| Chiral penta-graphene nanotubes: Structure, bonding and electronic properties JJ Quijano-Briones, HN Fernández-Escamilla, A Tlahuice-Flores Computational and Theoretical Chemistry 1108, 70-75, 2017 | 26 | 2017 |
| Chiral phosphorus nanotubes: structure, bonding, and electronic properties HN Fernández-Escamilla, JJ Quijano-Briones, A Tlahuice-Flores Physical Chemistry Chemical Physics 18 (18), 12414-12418, 2016 | 17 | 2016 |
| Structural and electronic properties of double-walled black phosphorene nanotubes: a density functional theory study HN Fernández-Escamilla, J Guerrero-Sánchez, E Martínez-Guerra, ... The Journal of Physical Chemistry C 123 (12), 7217-7224, 2019 | 14 | 2019 |
| Formaldehyde adsorption on a hydrogenated gallium nitride monolayer: A density functional theory study LA Alvarado-Leal, HN Fernandez-Escamilla, J Guerrero-Sánchez, ... Applied Surface Science 506, 144944, 2020 | 13 | 2020 |
| Hexagonal boron phosphide monolayer exfoliation induced by arsenic incorporation in the BP (1 1 1) surface: A DFT study OM Hernández, J Guerrero-Sánchez, R Ponce-Pérez, RG Díaz, ... Applied Surface Science 538, 148163, 2021 | 11 | 2021 |
| Understanding the role of oxygen vacancies in the stability of ZnO (0001)-(1× 3) surface reconstructions JI Paez-Ornelas, R Ponce-Perez, HN Fernández-Escamilla, ... The Journal of Physical Chemistry C 125 (14), 7980-7989, 2021 | 10 | 2021 |
| Adsorption of dimethyl sulfoxide on blue phosphorene HN Fernández-Escamilla, J Guerrero-Sánchez, R Garcia-Diaz, ... Surface Science 680, 88-94, 2019 | 10 | 2019 |
| Adsorption and dissociation of NO2 on silicene HN Fernández-Escamilla, J Guerrero-Sánchez, E Martínez-Guerra, ... Applied Surface Science 498, 143854, 2019 | 9 | 2019 |
| Formaldehyde adsorption on a hydrogenated aluminum nitride monolayer: a self-propagated reaction A Noguerón, HN Fernández-Escamilla, J Guerrero-Sánchez, N Takeuchi Computational and Theoretical Chemistry 1159, 18-22, 2019 | 8 | 2019 |
| DFT study of the dimethyl sulfoxide reduction on silicene R Garcia-Diaz, J Guerrero-Sánchez, HN Fernández-Escamilla, ... Applied Surface Science 467, 261-267, 2019 | 8 | 2019 |
| Bismuth and oxygen vacancies induce (2× 1) reconstructions in bismuth oxyhalide (BiOX, X= Cl, Br, I)(0 0 1) surfaces HN Fernández-Escamilla, JI Paez-Ornelas, CD Gutiérrez-Lazos, ... Applied Surface Science 618, 156583, 2023 | 7 | 2023 |
| Self-energy corrected band-gap tuning induced by strain in the hexagonal boron phosphide monolayer JM Galicia-Hernandez, J Guerrero-Sanchez, R Ponce-Perez, ... Computational Materials Science 203, 111144, 2022 | 7 | 2022 |
| First-principles studies of the strain-induced band-gap tuning in black phosphorene JMG Hernandez, JG Sanchez, HNF Escamilla, GH Cocoletzi, N Takeuchi Journal of Physics: Condensed Matter 33 (17), 175502, 2021 | 7 | 2021 |
| A first-principles study of the atomic layer deposition of ZnO on carboxyl functionalized carbon nanotubes: the role of water molecules JI Paez-Ornelas, HN Fernández-Escamilla, HA Borbón-Nuñez, H Tiznado, ... Physical Chemistry Chemical Physics 23 (5), 3467-3478, 2021 | 7 | 2021 |
| Adsorption and diffusion mechanisms of silver ad-atoms on Ag and Cu (110) surfaces: a first principles study JI Paez-Ornelas, HN Fernández-Escamilla, N Takeuchi, ... Materials Today Communications 25, 101461, 2020 | 7 | 2020 |
| Structural properties and thermal stability of multi-walled black phosphorene nanotubes and their operation as temperature driven nanorotors G Cuba-Supanta, HN Fernández-Escamilla, J Guerrero-Sanchez, ... Nanoscale 12 (35), 18313-18321, 2020 | 7 | 2020 |
| Electronic and optical properties of the buckled and puckered phases of phosphorene and arsenene JM Galicia Hernandez, HN Fernandez-Escamilla, J Guerrero Sanchez, ... Scientific Reports 12 (1), 20979, 2022 | 6 | 2022 |
| Controlling the magnetic alignment at the MnGa/Co2MnSi interface: A DFT study A Tellez-Mora, HN Fernandez-Escamilla, R Ponce-Perez, N Takeuchi, ... Journal of Magnetism and Magnetic Materials 547, 168936, 2022 | 6 | 2022 |
