| 1 | Density Functional Theory Study of Single-Atom Transition Metal Catalysts Supported on Pyridine-Substituted Graphene Nanosheets for Oxygen Reduction Reaction | 2ᵒ autor: Fernández-Escamilla H.N., Alvarado-Leal L.A., Paez-Ornelas J.I., Perez-Tijerina E.G., et al. | 2024 | Acs Applied Nano Materials | WoS-id: 001143442300001
Scopus-id: 2-s2.0-85181158556
| 0 | 1 |
| 2 | Adsorption and inactivation of pollutant molecules on the hexagonal Borophene/Al(111) superstructure | Coautor: Fernandez-Escamilla H.N., Martinez-Gutierrez G., Alvarado-Leal L.A., Paez-Ornelas J.I., et al. | 2024 | Surfaces And Interfaces | WoS-id: 001166016400001
Scopus-id: 2-s2.0-85181665865
| 0 | 1 |
| 3 | Influence of the Atomic Local Environment on the ORR Activity of Single-Atom Catalysts in N-Doped Graphene | Coautor: Fernández-Escamilla, HN, Alvarado-Leal, LA, Paez-Ornelas, JI, Perez-Tijerina, EG, et al. | 2024 | Acs Applied Energy Materials | WoS-id: 001234463200001
Scopus-id: 2-s2.0-85194489164
| 0 | 0 |
| 4 | Bismuth and oxygen vacancies induce (2 x 1) reconstructions in bismuth oxyhalide (BiOX, X = Cl, Br, I) (001) surfaces | 1ᵉʳ autor: Fernandez-Escamilla, H. N., Paez-Ornelas, J. I., Gutierrez-Lazos, C. D., Solis-Pomar, F. J., et al. | 2023 | APPLIED SURFACE SCIENCE | WoS-id: 000935361800001
Scopus-id: 2-s2.0-85147542574
| 4 | 9 |
| 5 | Ab initio study of the adsorption of SO2 on single-atom Cu-decorated ZnO(0001) surface | Coautor: Fernandez-Escamilla, H. N., Camarillo-Salazar, Erika, Garcia-Diaz, Reyes, Romero de la Cruz M.T., et al. | 2023 | JOURNAL OF MOLECULAR MODELING | WoS-id: 000935906800002
Scopus-id: 2-s2.0-85148412024
| 1 | 1 |
| 6 | Theoretical investigation of the MXene precursors MoxV4-xAlC3 (0 = x = 4) | Coautor: Fernandez-Escamilla, H. N., Moreno-Armenta, Ma. Guadalupe, Guerrero-Sanchez, J., Gutierrez-Ojeda, S. J., et al. | 2023 | SCIENTIFIC REPORTS | WoS-id: 000940302500003
Scopus-id: 2-s2.0-85148996871
| 2 | 2 |
| 7 | 2D MnC4: A Room-Temperature Antiferromagnetic System | 1ᵉʳ autor: Fernandez-Escamilla H.N., Paez-Ornelas J.I., Hoat D.M., Gonzalez-Hernandez R., et al. | 2023 | Advanced Theory and Simulations | WoS-id: 001004509900001
Scopus-id: 2-s2.0-85161383153
| 1 | 1 |
| 8 | Mn induces a 1×3 reconstruction in the ferromagnetic L21 Mn2FeGa (001) surface | Coautor: Fernández-Escamilla H.N., Alvarado-Leal L.A., Guerrero-Sánchez J., Ponce-Perez R., et al. | 2023 | Surfaces And Interfaces | WoS-id: 001110356800001
Scopus-id: 2-s2.0-85175439042
| 0 | 0 |
| 9 | Transition metal (Ti, Cu, Zn, Pt) single-atom modified graphene/AS2 (A = Mo, W) van der Waals heterostructures for removing airborne pollutants | Coautor: Fernandez-Escamilla H.N., Camarillo-Salazar E., Garcia-Diaz R., Romero de la Cruz M.T., et al. | 2023 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 001110565800001
Scopus-id: 2-s2.0-85178585321
| 0 | 1 |
| 10 | A candidate exchange-biased vdW heterostructure based on Cr2NO2 and Cr2CF2 MXenes | Coautor: Fernandez-Escamilla H.N., Ponce-Perez R., Guerrero-Sanchez J., Gutierrez-Ojeda S.J., et al. | 2023 | Materials Today Electronics | Scopus-id: 2-s2.0-85171325728
| 0 | 0 |
| 11 | Self-energy corrected band-gap tuning induced by strain in the hexagonal boron phosphide monolayer | Coautor: Fernandez-Escamilla, H. N., Mario Galicia-Hernandez, Jose, Guerrero-Sanchez, J., Ponce-Perez, R., et al. | 2022 | COMPUTATIONAL MATERIALS SCIENCE | WoS-id: 000734346000004
Scopus-id: 2-s2.0-85121457862
| 6 | 6 |
| 12 | Controlling the magnetic alignment at the MnGa/Co2MnSi interface: A DFT study | 2ᵒ autor: Fernandez-Escamilla, H. N., Tellez-Mora, A., Ponce-Perez, R., Takeuchi, Noboru, et al. | 2022 | JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | WoS-id: 000793159800006
Scopus-id: 2-s2.0-85121262763
| 2 | 3 |
| 13 | Pt2MnGa (001) surface stability and its effect on the magnetic and electronic properties: A DFT study | 1ᵉʳ autor: Fernandez-Escamilla, H. N., Takeuchi, Noboru, Perez-Tijerina, E. G., Guerrero-Sanchez, J. | 2022 | Materials Today Communications | WoS-id: 000867546200001
Scopus-id: 2-s2.0-85139002380
| 2 | 3 |
| 14 | Evaluating the detection and trapping of small gas molecules on hydrogenated siligene | 2ᵒ autor: Fernandez-Escamilla, H. N., Villarreal-Franco, L. G., Paez-Ornelas, I, J., Ponce-Perez, R., et al. | 2022 | PHYSICA SCRIPTA | WoS-id: 000889641700001
Scopus-id: 2-s2.0-85143157154
| 0 | 1 |
| 15 | Electronic and optical properties of the buckled and puckered phases of phosphorene and arsenene | 2ᵒ autor: Fernandez-Escamilla, H. N., Galicia Hernandez J.M., Guerrero Sanchez J., Takeuchi, Noboru | 2022 | SCIENTIFIC REPORTS | WoS-id: 000984275000077
Scopus-id: 2-s2.0-85143239144
| 1 | 6 |
| 16 | Adsorption and Reactivity of Chiral Modifiers in Heterogeneous Catalysis: 1-(1-Naphthyl)ethylamine on Pt Surfaces | 2ᵒ autor: Fernández-Escamilla H.N., Wang Z., Guerrero-Sánchez J., Takeuchi N., et al. | 2022 | ACS CATALYSIS | Scopus-id: 2-s2.0-85136869768
| 0 | 2 |
| 17 | Understanding the Selectivity of the Oxygen Reduction Reaction at the Atomistic Level on Nitrogen-Doped Graphitic Carbon Materials | 1ᵉʳ autor: Fernandez-Escamilla H.N., Guerrero-Sanchez J., Contreras E., Ruiz-Marizcal J.M., et al. | 2021 | ADVANCED ENERGY MATERIALS | WoS-id: 000588426400001
Scopus-id: 2-s2.0-85096797013
| 63 | 66 |
| 18 | Hexagonal boron phosphide monolayer exfoliation induced by arsenic incorporation in the BP (111) surface: A DFT study | Coautor: Fernandez-Escamilla, H. N., Munive Hernandez, Onam, Guerrero-Sanchez, J., Ponce-Perez, R., et al. | 2021 | APPLIED SURFACE SCIENCE | WoS-id: 000595861500005
Scopus-id: 2-s2.0-85093672450
| 7 | 10 |
| 19 | A first-principles study of the atomic layer deposition of ZnO on carboxyl functionalized carbon nanotubes: The role of water molecules | 2ᵒ autor: Fernandez-Escamilla, H. N., Paez-Ornelas, J. I., Borbon-Nunez, H. A., Tiznado, H., et al. | 2021 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000617431500028
Scopus-id: 2-s2.0-85100860675
| 4 | 5 |
| 20 | Understanding the Role of Oxygen Vacancies in the Stability of ZnO(0001)-(1 x 3) Surface Reconstructions | Coautor: Fernandez-Escamilla, H. N., Paez-Ornelas, I, J., Ponce-Perez, R., Murillo-Bracamontes, E., et al. | 2021 | JOURNAL OF PHYSICAL CHEMISTRY C | WoS-id: 000641307100045
Scopus-id: 2-s2.0-85104914404
| 9 | 8 |
| 21 | First-principles studies of the strain-induced band-gap tuning in black phosphorene | Coautor: Fernandez Escamilla, Hector Noe, Galicia Hernandez, Jose Mario, Sanchez, Jonathan Guerrero, Cocoletzi, Gregorio Hernandez, et al. | 2021 | JOURNAL OF PHYSICS-CONDENSED MATTER | WoS-id: 000642195600001
Scopus-id: 2-s2.0-85104798372
| 7 | 8 |
| 22 | The effect of shape and size in the stability of triangular Janus MoSSe quantum dots | Coautor: Fernandez-Escamilla, H. N., Paez-Ornelas, I, J., Ponce-Perez, R., Hoat, D. M., et al. | 2021 | SCIENTIFIC REPORTS | WoS-id: 000711622600068
Scopus-id: 2-s2.0-85118342169
| 6 | 6 |
| 23 | Aldehyde trapping by self-propagating atom-exchange reactions on a gallium nitride monolayer: role of the molecule complexity | Coautor: Fernandez-Escamilla, H. N., Alvarado-Leal, L. A., Martinez-Guerra, E., Guerrero-Sanchez, J., et al. | 2020 | NEW JOURNAL OF CHEMISTRY | WoS-id: 000558601500019
| 5 | 0 |
| 24 | Structural properties and thermal stability of multi-walled black phosphorene nanotubes and their operation as temperature driven nanorotors | 2ᵒ autor: Fernandez-Escamilla, H. N., Cuba-Supanta, Gustavo, Guerrero-Sanchez, J., Rojas-Tapia, J., et al. | 2020 | Nanoscale | WoS-id: 000571342700031
Scopus-id: 2-s2.0-85091263688
| 3 | 5 |
| 25 | Mn5Ge3 ultra-thin films on GaAs (111)B substrates: Influence of initial growth conditions | Coautor: Fernández-Escamilla H.N., Gutiérrez-Ojeda S.J., de Oliveira R.C., Ponce-Pérez R., et al. | 2020 | SUPERLATTICES AND MICROSTRUCTURES | WoS-id: 000596158500010
Scopus-id: 2-s2.0-85096604368
| 3 | 3 |
| 26 | Adsorption and diffusion mechanisms of silver ad-atoms on Ag and Cu (110) surfaces: A first principles study | 2ᵒ autor: Fernández-Escamilla H.N., Paez-Ornelas J.I., Takeuchi N., Guerrero-Sánchez J. | 2020 | Materials Today Communications | WoS-id: 000600965100009
Scopus-id: 2-s2.0-85088274449
| 3 | 6 |
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