M.C. José Israel Páez Ornelas, Adsorción de átomos y moléculas sobre superficies, Doctorado en Nanociencias, CNyN-CICESE, UNAM. Finalizada. Obtención de grado 30 de agosto de 2022.

 

M.C. Sergio Castillo Robles, Adsorción de furfural en g-C3N4. Doctorado en Ciencia e Ingenieria de Materiales, UNAM. En proceso.

 

M.C. Jonathan Efraín Rodríguez Hueso, Estudio experimental-computacional de los mecanismos de detección del híbrido TiO2-Gr en presencia de gas LP. Doctorado en Nanociencias, CNyN-CICESE, UNAM. Codirección con Dr. Hugo A. Borbón Núñez (Estudio teórico-experimental). En proceso.

 

Erica Valencia Gómez, Estudio de la adsorción de moléculas de dióxido de carbono, mediante la teoría del funcional de la densidad, en estructuras de grafeno y grafeno oxidado. Doctorado en Ciencias Químicas, Universidad del Quindío, Colombia. En proceso.

Fredy Alexander Hoyos Ariza, Influencia de la Cobertura de Óxidos en las Propiedades Eléctricas de Moléculas de Grafeno Oxidado Reducido Vía Simulación Computacional por DFT, Maestría en Ciencias de los Materiales, Instituto Interdisciplinario de las Ciencias de la Universidad del Quindío. Asesor Internacional. Concluida. Obtención del grado 25 de Marzo de 2021.

 

Jonathan Efraín Rodríguez Hueso, Estudio teórico-experimental de los procesos de nucleación de TiO2 sobre nanoestructuras de carbono. Maestría en Nanociencias, CNyN-CICESE, UNAM. Codirección con Dr. Hugo A. Borbon Nuñez. Concluida. Obtención del grado 5 de agosto de 2021.

 

Ricardo Miguel Ruvalcaba Briones, Simulaciones computacionales aplicadas a superficies metálicas con relevancia tecnológica. Maestría en Nanociencias, CNyN-CICESE, UNAM. Concluida. Obtención del grado 5 de agosto de 2022.

 

Jimena Magdalena Jacobo Fernández, Adsorción de metals de transición no magnéticos en superficies reconstruidas de oxido de zinc (000-1). Maestría en Nanociencias, CNyN-CICESE, UNAM. Concluida. Obtención del grado 13 de octubre de 2022.

 

Roció González Díaz, Análisis a escala atómica de interfaces magnéticas con aplicaciones en espintrónica. Maestría en Nanociencias, CNyN-CICESE, UNAM. Tesis en Finalizada. (21 oct 2023).

 

José Daniel Gutiérrez Londoño, Maestría en Nanociencias, CNyN-CICESE, UNAM. Tesis en proceso.

 

Jair Othoniel Domínguez Godínez, Maestría en Nanociencias, CNyN-CICESE, UNAM. Tesis en proceso. Codirección interdisciplinaria.

 

Gabriel Martínez Gutiérrez, Maestría en Nanociencias, CNyN-CICESE, UNAM. Tesis en proceso. Codirección interdisciplinaria.

Emiliano Ventura Macias, Simulación por primeros principios de la funcionalización de grafeno hidrogenado con formaldehído. Licenciatura en Nanotecnología, CNyN-UNAM. Co-dirección con Dr. Noboru Takeuchi. 3 de Agosto de 2017. Tesis finalizada.

 

Rubi Zarmiento Garcia, Simulaciones computacionales de la funcionalización de siliceno y silicano con benzaldehído. Licenciatura en Nanotecnología, CNyN-UNAM. Co-dirección con Dr. Noboru Takeuchi. 23 de Junio de 2018. Tesis finalizada.

 

Alejandro Nogueron Aramburu, Determinación por primeros principios de la estructura de la interfase de MnGa(001) depositado sobre CoGa(001). Licenciatura en Nanotecnología CNyN-UNAM (Mención Honorífica). Co-dirección con Dr. Noboru Takeuchi. 11 de Junio de 2019. Tesis finalizada.

 

Ricardo Ruvalcaba Briones, Estudios Ab-initio de la fase L12 y D03 del Fe3Ga y de la reconstrucción superficial inducida por deformación en el D03-Fe3Ga(001) magnetostrictivo. Licenciatura en Nanotecnología, CNyN-UNAM (Mención Honorífica). 2 de Julio de 2020. Tesis finalizada.

 

Etienne Israel Palos, Theoretical studies of ternary transition metal chalcogenides based on density functional theory, Licenciatura en Nanotecnología, CNyN-UNAM. Junio de 2020. Tesis finalizada.

 

Daniel Maldonado, Estudio de primeros principios de la interface IrMn2/Fe y su relación con la anisotropía de intercambio, Licenciatura en Nanotecnología, CNyN-UNAM (Mención Honorífica). 15 de Octubre de 2020. Tesis finalizada.

 

Axel Melchor Gaona Carranza, Predicción de nuevos materiales aururos con estructura tipo perovskita doble, Licenciatura en Nanotecnología, CNyN-UNAM. 10 de Junio de 2021. Tesis finalizada.

 

Enrique Lugo Martínez, Análisis estructural de un modelo de nanotubo de carbono ante la generación de vacancias y adición de clusters de Pt, Licenciatura en Nanotecnología, UNAM, 03 de Noviembre de 2022. Tesis finalizada

 

Jose Daniel Gutiérrez Londoño, Estudio del efecto de la temperatura en la magnetoresistencia de películas de grafeno oxidado, Licenciatura en Física, Universidad del Quindío, Colombia, 03 de Agosto de 2023. Tesis finalizada.

 

Laura Valentina Gutiérrez López, Estudio de la adsorción de cloruro de sodio en grafeno oxidado via DFT, Licenciatura en Química, Universidad del Quindío, Colombia, En proceso.

 

Samuel Flores García, Superficies de Mn3Ge: efectos de las vacancias en el ordenamiento tipo Kagome, Ingeniería en Nanotecnología, Universidad Autónoma de Baja California, En proceso.

Belman-Rodriguez, C., Ponce-Perez, R., Reyes, A.M., Galindez-Jamioy, C.A., Soto, G., Farías, M.H., Guerrero-Sánchez, J., Moreno-Armenta, M.G., Reyes-Serrato, A., Aguila, S.A. Experimental and theoretical assessment of the Eu3+ doped Bi4Ge3O12 (2023) Journal of Alloys and Compounds, 966, art. no. 171567, . DOI: 10.1016/j.jallcom.2023.171567

 

Ponce-Perez, R., Guerrero-Sanchez, J., Gutierrez-Ojeda, S.J., Fernandez-Escamilla, H.N., Hoat, D.M., Moreno-Armenta, M.G.A candidate exchange-biased vdW heterostructure based on Cr2NO2 and Cr2CF2 Mxenes (2023) Materials Today Electronics, 6, art. no. 100059, . DOI: 10.1016/j.mtelec.2023.100059

 

Arango Hoyos, B.E., Osorio, H.F., Valencia Gómez, E.K., Guerrero Sánchez, J., Del Canto Palominos, A.P., Larrain, F.A., Prías Barragán, J.J.Exploring the capture and desorption of CO2 on graphene oxide foams supported by computational calculations (2023) Scientific Reports, 13 (1), art. no. 14476, . DOI: 10.1038/s41598-023-41683-4

 

Moreno-Armenta, M.G., Guerrero-Sánchez, J., Gutiérrez-Ojeda, S.J., Fernández-Escamilla, H.N., Hoat, D.M., Ponce-Pérez, R.Theoretical investigation of the MXene precursors MoxV4-xAlC3 (0 ≤ x ≤ 4) (2023) Scientific Reports, 13 (1), art. no. 3271, .  DOI: 10.1038/s41598-023-30443-z

 

Zepeda, T.A., Ponce-Pérez, R., Solis-Garcia, A., Guerrero-Sanchez, J., Fuentes, S., Gomez, S.A.Boosting oxygen activation in ceria-oxide via gallium addition (2023) Applied Catalysis B: Environmental, 336, art. no. 122936, . DOI: 10.1016/j.apcatb.2023.122936

 

López-González, L.E., Guerrero-Sánchez, J., Tiznado, H. Soft removal of stearic acid self-assembled monolayer for area-selective atomic layer deposition(2023) Surfaces and Interfaces, 41, art. no. 103298, .  DOI: 10.1016/j.surfin.2023.103298

 

Hernandez, J.M.G., Guerrero-Sanchez, J., Ponce-Perez, R., Takeuchi, N.Assessing the stability of Kagome D019-Mn3Ga (0001) surfaces: A first-principles study (2023) Surfaces and Interfaces, 41, art. no. 103167, . DOI: 10.1016/j.surfin.2023.103167

 

Ramírez-Montes, L., Moreno-Armenta, M.G., Guerrero-Sánchez, J., Ponce-Pérez, R., González-Hernández, R., López-Pérez, W.Tuning the electronic and thermoelectric properties of selenium monolayers through atomic impurities: A DFT study (2023) Solid State Communications, 371, art. no. 115268, . DOI: 10.1016/j.ssc.2023.115268

 

Hoyos-Ariza, F.A., Prias-Barragan, J.J., Galván, D.H., Guerrero-Sánchez, J., Ariza-Calderon, H.Graphene nanostructures functionalization: Hydrogen bonds and oxide coverage effect (2023) Materials Today Communications, 36, art. no. 106861, . DOI: 10.1016/j.mtcomm.2023.106861

 

Huy, H.A., Nguyen, D.K., Ponce-Pérez, R., Guerrero-Sanchez, J., Hoat, D.M. Electronic and magnetic properties of SnC monolayer doped with 3d transition metals: A first-principles study (2023) Materials Today Communications, 36, art. no. 106511, . DOI: 10.1016/j.mtcomm.2023.106511

 

Fernandez-Escamilla, H.N., Paez-Ornelas, J.I., Hoat, D.M., Gonzalez-Hernandez, R., Takeuchi, N., Guerrero-Sanchez, J., Perez-Tijerina, E.G. 2D MnC4: A Room-Temperature Antiferromagnetic System (2023) Advanced Theory and Simulations, 6 (8), art. no. 2300193,. DOI:10.1002/adts.202300193

 

Brown, M.M., Ruvalcaba, R., Burzynski, K.M., Winner, D., Mahalingam, K., Puli, V.S., Laing, R.P., Muratore, T.C., Brown, J.L., Eyink, K.G., Elhamri, S., Romero, A.H., Guerrero-Sanchez, J., Corbett, J.P., Reed, A.Nucleation and quantum confinement of nano-platelet Bi2-Bi2Se3 (2023) Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films, 41 (4), art. no. 043406, . DOI: 10.1116/6.0002655

 

Ha, C.V., Nguyen Thi, B.N., Trang, P.Q., Ponce-Pérez, R., Kim Lien, V.T., Guerrero-Sanchez, J., Hoat, D.M.Semiconductor and topological phases in lateral heterostructures constructed from germanene and AsSb monolayers (2023) RSC Advances, 13 (26), pp. 17968-17977. DOI: 10.1039/d3ra01867a

 

Dhital, C., Dally, R.L., Ruvalcaba, R., Gonzalez-Hernandez, R., Guerrero-Sanchez, J., Cao, H.B., Zhang, Q., Tian, W., Wu, Y., Frontzek, M.D., Karna, S.K., Meads, A., Wilson, B., Chapai, R., Graf, D., Bacsa, J., Jin, R., Ditusa, J.F.Multi- k magnetic structure and large anomalous Hall effect in candidate magnetic Weyl semimetal NdAlGe (2023) Physical Review B, 107 (22), art. no. 224414, . DOI: 10.1103/PhysRevB.107.224414

 

Castillo-Robles, S., Ponce-Pérez, R., Paez-Ornelas, J.I., Hoat, D.M., Reyes-Serrato, A., Guerrero-Sanchez, J.Furfural adsorption on the g-C3N4 monolayer: A DFT analysis (2023) Materials Today Communications, 35, art. no. 106288, . DOI: 10.1016/j.mtcomm.2023.106288

 

Ha, C.V., Ha, L.T., Hue, D.T., Nguyen, D.K., Anh, D.T., Guerrero-Sanchez, J., Hoat, D.M.First-principles study of SiC and GeC monolayers with adsorbed non-metal atoms (2023) RSC Advances, 13 (22), pp. 14879-14886. DOI: 10.1039/d3ra01372c

 

Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M. HfXO (X = S and Se) Janus monolayers as promising two-dimensional platforms for optoelectronic and spintronic applications (2023) Journal of Materials Research, 38 (9), pp. 2600-2612. DOI: 10.1557/s43578-023-00989-9

 

Fernández-Escamilla, H.N., Paez-Ornelas, J.I., Gutiérrez-Lazos, C.D., Solís-Pomar, F.J., Guerrero-Sánchez, J., Pérez-Tijerina, E.G.Bismuth and oxygen vacancies induce (2 × 1) reconstructions in bismuth oxyhalide (BiOX, X = Cl, Br, I) (0 0 1) surfaces (2023) Applied Surface Science, 618, art. no. 156583, . DOI: 10.1016/j.apsusc.2023.156583

 

Ponce-Pérez, R., Guerrero-Sanchez, J., Hoat, D.M.Half-metallic and magnetic semiconductor behavior in CdO monolayer induced by acceptor impurities (2023) Physical Chemistry Chemical Physics, 25 (20), pp. 14266-14273. DOI: 10.1039/d3cp01268a

 

Ha, C.V., Nguyen Thi, B.N., Trang, P.Q., Ponce-Pérez, R., Guerrero-Sanchez, J., Hoat, D.M.Novel germanene-arsenene and germanene-antimonene lateral heterostructures: interline-dependent electronic and magnetic properties (2023) Physical Chemistry Chemical Physics, 25 (20), pp. 14502-14510. DOI: 10.1039/d3cp00828b

 

Van On, V., Thuy, H.T.P., Van Ngoc, H., Guerrero-Sanchez, J., Hoat, D.M.ZrSe2-HfSe2 lateral heterostructures: stability, fundamental properties, and interline defects (2023) Applied Physics A: Materials Science and Processing, 129 (4), art. no. 259, . DOI: 10.1007/s00339-023-06522-3

 

Van On, V., Rivas-Silva, J.F., Cocoletzi, G.H., Guerrero-Sanchez, J., Hoat, D.M.Feature-rich electronic and magnetic properties in silicene monolayer induced by nitrogenation: A first-principles study (2023) Chemical Physics, 568, art. no. 111844, . DOI: 10.1016/j.chemphys.2023.111844

 

Van On, V., Van Ngoc, H., Thuy, H.T.P., Guerrero-Sanchez, J., Hoat, D.M.An investigation on the stability, electronic, and optical properties of new MoSO–WSO lateral heterostructures (2023) Applied Surface Science, 613, art. no. 155980, . DOI: 10.1016/j.apsusc.2022.155980

 

Ruvalcaba, R., Hoat, D.M., Corbett, J.P., Guerrero-Sanchez, J.First principles characterization of C-doped magnetically-enhanced D022-Mn3Ga surfaces (2023) Computational Materials Science, 220, art. no. 112027, . DOI: 10.1016/j.commatsci.2023.112027

 

Ruvalcaba, R., Guerrero-Sanchez, J., Takeuchi, N., Zaera, F.Crotonaldehyde Adsorption on Cu-Pt Surface Alloys: A Quantum Mechanics Study (2023) Chemistry (Switzerland), 5 (1), pp. 463-478. DOI: 10.3390/chemistry5010034

 

Camarillo-Salazar, E., Garcia-Diaz, R., Romero de la Cruz, M.T., Avila-Alvarado, Y., Fernandez-Escamilla, H.N., Guerrero-Sanchez, J., Hernández Cocoletzi, G.Ab initio study of the adsorption of SO2 on single-atom Cu-decorated ZnO(0001) surface (2023) Journal of Molecular Modeling, 29 (3), art. no. 72, . DOI: 10.1007/s00894-023-05476-w

 

Van On, V., Guerrero-Sanchez, J., Hoat, D.M.Tuning the electronic and magnetic properties of MgO monolayer by nonmetal doping: A first-principles investigation (2023) Materials Today Communications, 34, art. no. 105422, . DOI: 10.1016/j.mtcomm.2023.105422

 

Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M.Exploring the ZrXO (X = S and Se) Janus Monolayers for Optoelectronic and Spintronic Applications (2023) Physica Status Solidi – Rapid Research Letters, 17 (3), art. no. 2200427, . DOI: 10.1002/pssr.202200427

 

Nguyen, D.K., Bao, T.V., Kha, N.A., Ponce-Pérez, R., Guerrero-Sanchez, J., Hoat, D.M.Searching for d0 spintronic materials: bismuthene monolayer doped with IVA-group atoms (2023) RSC Advances, 13 (9), pp. 5885-5892. DOI: 10.1039/d2ra08278k

 

Vu, T.V., Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M.First-principles prediction of 1H-Na2Se monolayer: effects of external strain and point defects associated with constituent atoms (2023) Physica Scripta, 98 (2), art. no. 025805, . DOI: 10.1088/1402-4896/acae43

 

Ha, C.V., Nguyen, D.K., Anh, D.T., Guerrero-Sanchez, J., Hoat, D.M.Novel electronic and magnetic features in XC (X = Si and Ge) monolayers induced by doping with group-VA atoms (2023) New Journal of Chemistry, 47 (6), pp. 2787-2796. DOI: 10.1039/d2nj05634h

 

Van On, V., Ha, C.V., Guerrero-Sanchez, J., Hoat, D.M.First-Principles Study of the C- and Si-Doped Buckled Honeycomb PN Monolayer (2023) Advanced Theory and Simulations, . DOI: 10.1002/adts.202300593

 

Rodríguez-Hueso, J.E., Borbón-Nuñez, H.A., Ponce-Pérez, R., Hoat, D.M., Takeuchi, N., Tiznado, H., Guerrero-Sánchez, J.Atomic-scale study of TiO2-GR nanohybrid formation by ALD: the effect of the gas phase precursor (2023) Nanoscale Advances, . DOI: 10.1039/d3na00729d

 

Jacobo-Fernández, J.M., Corona-García, C.A., Ponce-Pérez, R., Borbón-Nuñez, H.A., Hoat, D.M., Reyes-Serrato, A., Guerrero-Sánchez, J.Spin-Polarized Total-Energy Calculations on Designing Magnetic Single-Atom Catalysts on the ZnO(0001̅) Surface with Pt and Pd (2023) ACS Applied Nano Materials, . DOI: 10.1021/acsanm.3c02944

 

Huy, H.A., Nguyen-Tat, B.-T., Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M.Point Defects in Buckled Honeycomb PAs Monolayer: A Systematic Study of Stability, Electronic, and Magnetic Properties (2023) Advanced Theory and Simulations, . DOI: 10.1002/adts.202300416

Bui, P.T., Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M.Exploration of new direct gap semiconductor Na2X (X = S and Se) monolayers (2022) Applied Surface Science, 606, art. no. 154809, . DOI: 10.1016/j.apsusc.2022.154809

 

Galicia Hernandez, J.M., Fernandez-Escamilla, H.N., Guerrero Sanchez, J., Takeuchi, N.Electronic and optical properties of the buckled and puckered phases of phosphorene and arsenene(2022) Scientific Reports, 12 (1), art. no. 20979, . DOI: 10.1038/s41598-022-24425-w

 

Villarreal-Franco, L.G., Fernandez-Escamilla, H.N., Paez-Ornelas, J.I., Ponce-Perez, R., Quijano-Briones, J.J., Perez-Tijerina, E.G., Takeuchi, N., Guerrero-Sánchez, J.Evaluating the detection and trapping of small gas molecules on hydrogenated siligene (2022) Physica Scripta, 97 (12), art. no. 125828, . DOI: 10.1088/1402-4896/aca22b

 

Ríos-Vargas, V., Ponce-Pérez, R., Moreno-Armenta, M.G., Guerrero-Sánchez, J.Cr2Ge2Te6 nanoribbons with perpendicular magnetic anisotropy and half metallicity: a DFT study(2022) Journal of Physics D: Applied Physics, 55 (48), art. no. 485003, . DOI: 10.1088/1361-6463/ac941b

 

Fernandez-Escamilla, H.N., Takeuchi, N., Perez-Tijerina, E.G., Guerrero-Sánchez, J.Pt2MnGa (001) surface stability and its effect on the magnetic and electronic properties: A DFT study (2022) Materials Today Communications, 33, art. no. 104467, . DOI: 10.1016/j.mtcomm.2022.104467

 

Guerrero-Sanchez, J., Muñoz-Pizza, D.M., Moreno-Armenta, M.G., Takeuchi, N.Atomic-scale understanding of the Na and Cl trapping on the Mo1.33C(OH)2-Mxene (2022) Scientific Reports, 12 (1), art. no. 8340, . DOI: 10.1038/s41598-022-12177-6

 

Ponce-Perez, R., Moreno-Armenta, M.G., Guerrero-Sánchez, J.Selective incorporation of Fe and Co into the Ni2MnGa (001) surfaces: a DFT analysis (2022) Surfaces and Interfaces, 34, art. no. 102367, . DOI: 10.1016/j.surfin.2022.102367

 

Nguyen, D.K., Guerrero-Sanchez, J., Rivas-Silva, J.F., Vu, T.V., Cocoletzi, G.H., Hoat, D.M.Chemical functionalization of low-buckled SiGe monolayer: Effects on the electronic and magnetic properties (2022) Materials Science in Semiconductor Processing, 150, art. no. 106949,. DOI: 10.1016/j.mssp.2022.106949

 

Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M.Introducing the 1H-Na2S monolayer as a new direct gap semiconductor with feature-rich electronic and magnetic properties (2022) Physical Chemistry Chemical Physics, 24 (44), pp. 27505-27514. DOI: 10.1039/d2cp04613j

 

Rodriguez, J.R., Belman, C., Aguirre, S.B., Simakov, A., Aguila, S.A., Ponce-Pérez, R., Guerrero-Sánchez, J., Guadalupe Moreno, M., Sauceda, D., Pol, V.G.Reversible Lithium-Ion Storage in h-Bi2Ge3O9-Based Anode: Experimental and Theoretical Studies (2022) Journal of Electroanalytical Chemistry, 923, art. no. 116804, . DOI: 10.1016/j.jelechem.2022.116804

 

Corbett, J.P., Meng, K.-Y., Repicky, J.J., Garcia-Diaz, R., Rowland, J.R., Ahmed, A.S., Takeuchi, N., Guerrero-Sanchez, J., Yang, F.Y., Gupta, J.A.Spin polarized STM imaging of nanoscale Néel skyrmions in an SrIrO3/SrRuO3 perovskite bilayer (2022) Applied Surface Science, 599, art. no. 153766, . DOI: 10.1016/j.apsusc.2022.153766

 

Van On, V., Guerrero-Sanchez, J., Ponce-Pérez, R., Vu, T.V., Rivas-Silva, J.F., Cocoletzi, G.H., Hoat, D.M.Defective and doped MgO monolayer as promising 2D materials for optoelectronic and spintronic applications (2022) Materials Science in Semiconductor Processing, 149, art. no. 106876, . DOI: 10.1016/j.mssp.2022.106876

 

Ruvalcaba, R., Corbett, J.P., Guerrero-Sanchez, J. Cu atoms induce a new reconstruction in the MnGa(001) surface: An ab-initio study (2022) Applied Surface Science, 597, art. no. 153514, . DOI: 10.1016/j.apsusc.2022.153514

 

Gutiérrez-Ojeda, S.J., Ponce-Pérez, R., Maldonado-Lopez, D., Hoat, D.M., Guerrero-Sánchez, J., Moreno-Armenta, M.G.Strain Effects on the Two-Dimensional Cr2N MXene: An Ab Initio Study (2022) ACS Omega, 7 (38), pp. 33884-33894.  DOI: 10.1021/acsomega.2c02751

 

Vu, T.V., Nguyen, D.K., Guerrero-Sanchez, J., Rivas-Silva, J.F., Cocoletzi, G.H., Hoat, D.M. A new family of NaTMGe (TM = 3d transition metals) half-Heusler compounds: the role of TM modification (2022) RSC Advances, 12 (40), pp. 26418-26427.  DOI: 10.1039/d2ra02983a

 

Van On, V., Ha, C.V., Anh, D.T., Guerrero-Sanchez, J., Hoat, D.M. Designing doping strategy in arsenene monolayer for spintronic and optoelectronic applications: a case study of germanium and nitrogen as dopants (2022) Journal of Physics Condensed Matter, 34 (35), art. no. 355301, .  DOI: 10.1088/1361-648X/ac7a81

 

Lien, V.T.K., Van On, V., Guerrero-Sanchez, J., Rivas-Silva, J.F., Cocoletzi, G.H., Hoat, D.M. Theoretical prediction of alkali oxide M2O (M = Na and K) monolayers and formation of their Janus structure (2022) New Journal of Chemistry, 46 (36), pp. 17386-17393.  DOI: 10.1039/d2nj03118c

 

Nguyen, D.K., Guerrero-Sanchez, J., Vu, T.V., Ponce-Pérez, R., Hoat, D.M. Electronic and magnetic properties of the WSO Janus monolayer engineered by intrinsic defects (2022) Surfaces and Interfaces, 32, art. no. 102114, .  DOI: 10.1016/j.surfin.2022.102114

 

Camarillo-Salazar, E., Garcia-Diaz, R., Avila-Alvarado, Y., Guerrero-Sanchez, J., Hernández Cocoletzi, G., Romero de la Cruz, M.T. Efficient NO2 removal induced by transition-metal doped and co-doped graphene: An ab-initio study (2022) Computational and Theoretical Chemistry, 1214, art. no. 113782, .  DOI: 10.1016/j.comptc.2022.113782

 

Nguyen, D.K., Bao, T.V., Guerrero-Sanchez, J., Hoat, D.M. Modifying electronic and magnetic properties of the β-Sb monolayer by doping with III-, IV-, and V-group atoms (2022) Physica E: Low-Dimensional Systems and Nanostructures, 142, art. no. 115315, .  DOI: 10.1016/j.physe.2022.115315

 

Rodriguez-Olguin, M.A., Flox, C., Ponce-Pérez, R., Lipin, R., Ruiz-Zepeda, F., Winczewski, J.P., Kallio, T., Vandichel, M., Guerrero-Sánchez, J., Gardeniers, J.G.E., Takeuchi, N., Susarrey-Arce, A. Chlorine in NiO promotes electroreduction of CO2 to formate (2022) Applied Materials Today, 28, art. no. 101528, .  DOI: 10.1016/j.apmt.2022.101528

 

López-González, L.E., Ponce-Pérez, R., Takeuchi, N., Tiznado, H., Guerrero-Sánchez, J. Adsorption of sorbitan ester surfactant on copper and Cuprous oxide surfaces: A density functional theory study (2022) Applied Surface Science, 589, art. no. 153061, .  DOI: 10.1016/j.apsusc.2022.153061

 

Soltero, I., Guerrero-Sánchez, J., Mireles, F., Ruiz-Tijerina, D.A. Moiré band structures of twisted phosphorene bilayers (2022) Physical Review B, 105 (23), art. no. 235421, .  DOI: 10.1103/PhysRevB.105.235421

 

Gaona Carranza, A.M., Garcia Diaz, R., Hoat, D.M., Siqueiros, J.M., Guerrero-Sanchez, J. Predicting the stability and electronic structure of alkali metal aurides (2022) Journal of Physics Condensed Matter, 34 (23), art. no. 235901, .  DOI: 10.1088/1361-648X/ac5d1a

 

Van On, V., Guerrero-Sanchez, J., Ponce-Pérez, R., Hoat, D.M. Study of vacancy, voids, atom adsorption and domain substitution in hexagonal gallium nitride monolayer (2022) Surfaces and Interfaces, 30, art. no. 101898, .  DOI: 10.1016/j.surfin.2022.101898

 

On, V.V., Guerrero-Sanchez, J., Hoat, D.M. Controlling magnetic-semiconductor properties of the Si- and Al-doped blue phosphorene monolayer (2022) Journal of Physics D: Applied Physics, 55 (16), art. no. 165302, .  DOI: 10.1088/1361-6463/ac49b4

 

Cuba-Supanta, G., Guerrero-Sanchez, J., Rojas-Tapia, J., Landauro, C.V., Rojas-Ayala, C., Takeuchi, N. An atomistic study on the structural and thermodynamic properties of Al–Fe bimetallic nanoparticles during melting and solidification: The role of size and composition (2022) Materials Chemistry and Physics, 282, art. no. 125936, .  DOI: 10.1016/j.matchemphys.2022.125936

 

Tellez-Mora, A., Fernandez-Escamilla, H.N., Ponce-Perez, R., Takeuchi, N., Guerrero-Sanchez, J. Controlling the magnetic alignment at the MnGa/Co2MnSi interface: A DFT study (2022) Journal of Magnetism and Magnetic Materials, 547, art. no. 168936, .  DOI: 10.1016/j.jmmm.2021.168936

 

Van On, V., Guerrero-Sanchez, J., Ponce-Pérez, R., Rivas-Silva, J.F., Cocoletzi, G.H., Hoat, D.M. First-principles investigation of the (HfSe2)4−n–(HfSSe)n (n = 0, 1, 2, 3, 4) lateral heterostructures (2022) International Journal of Quantum Chemistry, 122 (6), art. no. e26857, .  DOI: 10.1002/qua.26857

 

Maldonado-Lopez, D., Rodriguez, J.R., Pol, V.G., Syamsai, R., Andrews, N.G., Gutiérrez-Ojeda, S.J., Ponce-Pérez, R., Moreno-Armenta, M.G., Guerrero-Sánchez, J. Atomic-Scale Understanding of Li Storage Processes in the Ti4C3 and Chemically Ordered Ti2Ta2C3 MXenes: A Theoretical and Experimental Assessment (2022) ACS Applied Energy Materials, 5 (2), pp. 1801-1809.  DOI: 10.1021/acsaem.1c03239

 

Mario Galicia-Hernandez, J., Guerrero-Sanchez, J., Ponce-Perez, R., Fernandez-Escamilla, H.N., Cocoletzi, G.H., Takeuchi, N. Self-energy corrected band-gap tuning induced by strain in the hexagonal boron phosphide monolayer (2022) Computational Materials Science, 203, art. no. 111144, .  DOI: 10.1016/j.commatsci.2021.111144

 

Van On, V., Guerrero-Sanchez, J., Ponce-Pérez, R., Rivas-Silva, J.F., Cocoletzi, G.H., Hoat, D.M. Ferromagnetic half-metallicity of the cubic NaMgO3perovskite: From bulk to (001) surfaces (2022) Physical Chemistry Chemical Physics, 24 (4), pp. 2209-2218.  DOI: 10.1039/d1cp05086a

 

Wang, Z., Fernández-Escamilla, H.N., Guerrero-Sánchez, J., Takeuchi, N., Zaera, F. Adsorption and Reactivity of Chiral Modifiers in Heterogeneous Catalysis: 1-(1-Naphthyl)ethylamine on Pt Surfaces (2022) ACS Catalysis, pp. 10514-10521.  DOI: 10.1021/acscatal.2c01627

 

Arroyo Escareño, A., Paez-Ornelas, J.I., Guerrero-Sánchez, J., Sáenz-Galindo, A., Garcia-Diaz, R., Gallardo-Vega, C., Ochoa-Valiente, R., Romero de la Cruz, M.T. Adsorption of acetic acid and benzoic acid on pristine and defect containing graphene: A DFT study (2022) Computational and Theoretical Chemistry, 1207, art. no. 113504, .  DOI: 10.1016/j.comptc.2021.113504

Repicky, J., Wu, P.-K., Liu, T., Corbett, J.P., Zhu, T., Cheng, S., Ahmed, A.S., Takeuchi, N., Guerrero-Sanchez, J., Randeria, M., Kawakami, R.K., Gupta, J.A. Atomic-scale visualization of topological spin textures in the chiral magnet MnGe (2021) Science, 374 (6574), pp. 1484-1487.  DOI: 10.1126/science.abd9225

 

Paez-Ornelas, J.I., Ponce-Pérez, R., Fernández-Escamilla, H.N., Hoat, D.M., Murillo-Bracamontes, E.A., Moreno-Armenta, M.G., Galván, D.H., Guerrero-Sánchez, J. The effect of shape and size in the stability of triangular Janus MoSSe quantum dots (2021) Scientific Reports, 11 (1), art. no. 21061, .  DOI: 10.1038/s41598-021-00287-6

 

Ponce-Pérez, R., Gutierrez-Ojeda, S.J., Guerrero-Sánchez, J., Moreno-Armenta, M.G. A new family of copper-based Mxenes (2021) Scientific Reports, 11 (1), art. no. 12393, .  DOI: 10.1038/s41598-021-90628-2

 

Van On, V., Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M. Exploring the electronic band gap of Janus MoSeO and WSeO monolayers and their heterostructures (2021) New Journal of Chemistry, 45 (44), pp. 20776-20786.  DOI: 10.1039/d1nj04427c

 

Ponce-Pérez, R., Guerrero-Sanchez, J., Gutierrez-Ojeda, S.J., Moreno-Armenta, M.G. Oxygen Coverage Effect on the Magnetic Properties of the Cr2NOx(0 ≤ x ≤ 2) Mxene (2021) ACS Applied Electronic Materials, 3 (11), pp. 4967-4976.  DOI: 10.1021/acsaelm.1c00774

 

Gutiérrez-Ojeda, S.J., Ponce-Pérez, R., Guerrero-Sánchez, J., García-Diaz, R., Sánchez-Ochoa, F., Guadalupe Moreno Armenta, M., Cocoletzi, G.H. Modeling the half-metallicity of the CrN/GaN (1 1 1) heterostructure (2021) Applied Surface Science, 566, art. no. 150637, .                                                DOI: 10.1016/j.apsusc.2021.150637

 

Hoat, D.M., Nguyen, D.K., Guerrero-Sanchez, J., Ponce-Pérez, R., On, V.V., Rivas-Silva, J.F., Cocoletzi, G.H. Engineering the electronic and magnetic properties of nitrogene monolayer and bilayer by doping: A first-principles study (2021) Applied Surface Science, 566, art. no. 150711, .  DOI: 10.1016/j.apsusc.2021.150711

 

Nguyen, D.K., Guerrero-Sanchez, J., Van On, V., Rivas-Silva, J.F., Ponce-Pérez, R., Cocoletzi, G.H., Hoat, D.M. Tuning MoSO monolayer properties for optoelectronic and spintronic applications: Effect of external strain, vacancies and doping (2021) RSC Advances, 11 (56), pp. 35614-35623.            DOI: 10.1039/d1ra05639e

 

Chen, B., Ponce, R., Guerrero-Sánchez, J., Takeuchi, N., Zaera, F. Cinnamaldehyde adsorption and thermal decomposition on copper surfaces (2021) Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films, 39 (5), art. no. 053205, .  DOI: 10.1116/6.0001192

 

Hoat, D.M., Nguyen, D.K., Guerrero-Sanchez, J., Ponce-Pérez, R., Rivas-Silva, J.F., Van On, V., Cocoletzi, G.H. Nitrogen doping and oxygen vacancy effects on the fundamental properties of BeO monolayer: A DFT study (2021) Journal of Physics Condensed Matter, 33 (32), art. no. 325305, .    DOI: 10.1088/1361-648X/ac07cd

 

Ruvalcaba, R., Corbett, J.P., Mandru, A.-O., Takeuchi, N., Smith, A.R., Guerrero-Sanchez, J. Surface structures of magnetostrictive D03-Fe3Ga(0 0 1) (2021) Applied Surface Science, 553, art. no. 149488, .  DOI: 10.1016/j.apsusc.2021.149488

 

Hoat, D.M., Nguyen, D.K., Ponce-Pérez, R., Guerrero-Sanchez, J., On, V.V., Rivas-Silva, J.F., Cocoletzi, G.H. Opening the germanene monolayer band gap using halogen atoms: An efficient approach studied by first-principles calculations (2021) Applied Surface Science, 551, art. no. 149318, .  DOI: 10.1016/j.apsusc.2021.149318

 

Paez-Ornelas, J.I., Ponce-Perez, R., Fernández-Escamilla, H.N., Murillo-Bracamontes, E., Borbón-Nuñez, H.A., Corbett, J.P., Moreno Armenta, M.G., Guerrero-Sánchez, J. Understanding the Role of Oxygen Vacancies in the Stability of ZnO(0001)-(1 × 3) Surface Reconstructions (2021) Journal of Physical Chemistry C, 125 (14), pp. 7980-7989.  DOI: 10.1021/acs.jpcc.1c01097

 

Galicia Hernandez, J.M., Sanchez, J.G., Fernandez Escamilla, H.N., Cocoletzi, G.H., Takeuchi, N. First-principles studies of the strain-induced band-gap tuning in black phosphorene (2021) Journal of Physics Condensed Matter, 33 (17), art. no. 175502, .                                                              DOI: 10.1088/1361-648X/abdd62

 

Maldonado-Lopez, D., Takeuchi, N., Guerrero-Sanchez, J. Understanding the Noncollinear Antiferromagnetic IrMn3Surfaces and Their Exchange-Biased Heterostructures from First-Principles (2021) ACS Applied Electronic Materials, 3 (3), pp. 1086-1096.  DOI: 10.1021/acsaelm.0c00922

 

Nayakasinghe, M.T., Guerrero-Sánchez, J., Takeuchi, N., Zaera, F. Adsorption of crotonaldehyde on metal surfaces: Cu vs Pt (2021) Journal of Chemical Physics, 154 (10), art. no. 104701, .  DOI: 10.1063/5.0040776

 

Paez-Ornelas, J.I., Fernández-Escamilla, H.N., Borbón-Nuñez, H.A., Tiznado, H., Takeuchi, N., Guerrero-Sánchez, J. A first-principles study of the atomic layer deposition of ZnO on carboxyl functionalized carbon nanotubes: The role of water molecules (2021) Physical Chemistry Chemical Physics, 23 (5), pp. 3467-3478.  DOI: 10.1039/d0cp05283c

 

Munive Hernández, O., Guerrero-Sánchez, J., Ponce-Pérez, R., García Díaz, R., Fernandez-Escamilla, H.N., Cocoletzi, G.H. Hexagonal boron phosphide monolayer exfoliation induced by arsenic incorporation in the BP (1 1 1) surface: A DFT study(2021) Applied Surface Science, 538, art. no. 148163, .  DOI: 10.1016/j.apsusc.2020.148163

 

Antúnez-García, J., Galván, D.H., Guerrero-Sánchez, J., Murrieta-Rico, F.N., Yocupicio-Gaxiola, R.I., Fuentes-Moyado, S. Analytical solution to Scholte’s secular equation for isotropic elastic media (2021) Revista Mexicana de Fisica, 67 (1), pp. 54-61.  DOI: 10.31349/RevMexFis.67.54

 

Fernandez-Escamilla, H.N., Guerrero-Sanchez, J., Contreras, E., Ruiz-Marizcal, J.M., Alonso-Nunez, G., Contreras, O.E., Felix-Navarro, R.M., Romo-Herrera, J.M., Takeuchi, N. Understanding the Selectivity of the Oxygen Reduction Reaction at the Atomistic Level on Nitrogen-Doped Graphitic Carbon Materials (2021) Advanced Energy Materials, 11 (3), art. no. 2002459, .  DOI: 10.1002/aenm.202002459

Srinet, G., Sharma, S., Guerrero-Sanchez, J., Garcia-Diaz, R., Ponce-Perez, R., Siqueiros, J.M., Raymond Herrera, O. Room-temperature ferromagnetism on ZnO nanoparticles doped with Cr: An experimental and theoretical analysis (2020) Journal of Alloys and Compounds, 849, art. no. 156587, .  DOI: 10.1016/j.jallcom.2020.156587

 

Gutiérrez-Ojeda, S.J., de Oliveira, R.C., Fernández-Escamilla, H.N., Ponce-Pérez, R., Guerrero-Sánchez, J., Mosca, D.H., Cocoletzi, G.H., Varalda, J. Mn5Ge3 ultra-thin films on GaAs (111)B substrates: Influence of initial growth conditions (2020) Superlattices and Microstructures, 148, art. no. 106745, .  DOI: 10.1016/j.spmi.2020.106745

 

Paez-Ornelas, J.I., Fernández-Escamilla, H.N., Takeuchi, N., Guerrero-Sánchez, J. Adsorption and diffusion mechanisms of silver ad-atoms on Ag and Cu (110) surfaces: A first principles study (2020) Materials Today Communications, 25, art. no. 101461, .  DOI: 10.1016/j.mtcomm.2020.101461

 

Palos, E., Reyes-Serrato, A., Alonso-Nunez, G., Sánchez, J.G. Modeling the ternary chalcogenide Na2MoSe4from first-principles (2020) Journal of Physics Condensed Matter, 33 (2), art. no. 025501, .  DOI: 10.1088/1361-648X/abaf91

 

Moreno-Armenta, M.G., Corbett, J.P., Ponce-Perez, R., Guerrero-Sanchez, J. A DFT study on the austenitic Ni2MnGa (001) surfaces (2020) Journal of Alloys and Compounds, 836, art. no. 155447, .  DOI: 10.1016/j.jallcom.2020.155447

 

Cuba-Supanta, G., Fernández-Escamilla, H.N., Guerrero-Sanchez, J., Rojas-Tapia, J., Takeuchi, N. Structural properties and thermal stability of multi-walled black phosphorene nanotubes and their operation as temperature driven nanorotors (2020) Nanoscale, 12 (35), pp. 18313-18321.   DOI: 10.1039/d0nr03815f

 

Quijano-Briones, J.J., Fernández-Escamilla, H.N., Guerrero-Sánchez, J., Martínez-Guerra, E., Takeuchi, N. The effect of strain on the structural and dynamical stability of hydrogenated penta-C2Ge: a density functional theory study (2020) Journal of Physics D: Applied Physics, 53 (33), art. no. 335101, .  DOI: 10.1088/1361-6463/ab899b

 

Guerrero-Sánchez, J., Borbon-Nunez, H.A., Tiznado, H., Takeuchi, N. Understanding the first half-ALD cycle of the ZnO growth on hydroxyl functionalized carbon nanotubes (2020) Physical Chemistry Chemical Physics, 22 (27), pp. 15333-15339.  DOI: 10.1039/d0cp00817f

 

Takeuchi, N., Ventura-Macias, E., Guerrero-Sánchez, J., Zaera, F. Density Functional Theory Study of the Adsorption and Dissociation of Copper(I) Acetamidinates on Ni(110): The Effect of the Substrate (2020) Journal of Physical Chemistry C, 124 (28), pp. 15366-15376.  DOI: 10.1021/acs.jpcc.0c04521

 

Guerrero-Sánchez, J., Chen, B., Takeuchi, N., Zaera, F. Role of oligomer structures in the surface chemistry of amidinate metal complexes used for atomic layer deposition of thin films (2020) Journal of Materials Research, 35 (7), pp. 720-731.  DOI: 10.1557/jmr.2019.293

 

Ponce-Pérez, R., Romero de la Cruz, M.T., Guerrero-Sánchez, J., Alvarado, Y.E.Á., Hoat, D.M., Moreno-Armenta, M.G., Cocoletzi, G.H. Half-metal effect on the MnAs/InP (0 0 1)-(2 × 4) interface (2020) Computational Materials Science, 175, art. no. 109603, .                                                           DOI: 10.1016/j.commatsci.2020.109603

 

Alvarado-Leal, L.A., Fernandez-Escamilla, H.N., Guerrero-Sánchez, J., Martínez-Guerra, E., Takeuchi, N. Formaldehyde adsorption on a hydrogenated gallium nitride monolayer: A density functional theory study (2020) Applied Surface Science, 506, art. no. 144944, .                         DOI: 10.1016/j.apsusc.2019.144944

 

Cao, Y., Guerrero-Sańchez, J., Lee, I., Zhou, X., Takeuchi, N., Zaera, F. Kinetic Study of the Hydrogenation of Unsaturated Aldehydes Promoted by CuPtx/SBA-15 Single-Atom Alloy (SAA) Catalysts (2020) ACS Catalysis, 10 (5), pp. 3431-3443.  DOI: 10.1021/acscatal.9b05407

 

Noguerón, A., Fernández-Escamilla, H.N., Guerrero-Sánchez, J., Takeuchi, N. Structural, electronic, and magnetic properties of the CoGa (0 0 1) surface and the L10 MnGa/CoGa interface: A density functional theory study (2020) Applied Surface Science, 504, art. no. 144332, .                      DOI: 10.1016/j.apsusc.2019.144332

 

Corbett, J.P., Zhu, T., Ahmed, A.S., Tjung, S.J., Repicky, J.J., Takeuchi, T., Guerrero-Sanchez, J., Takeuchi, N., Kawakami, R.K., Gupta, J.A. Determining Surface Terminations and Chirality of Noncentrosymmetric FeGe Thin Films via Scanning Tunneling Microscopy (2020) ACS Applied Materials and Interfaces, 12 (8), pp. 9896-9901.  DOI: 10.1021/acsami.9b19724

 

Rodriguez, J.R., Qi, Z., Wang, H., Shalaginov, M.Y., Goncalves, C., Kang, M., Richardson, K.A., Guerrero-Sanchez, J., Moreno-Armenta, M.G., Pol, V.G. Ge2Sb2Se5 Glass as High-capacity Promising Lithium-ion Battery Anode (2020) Nano Energy, 68, art. no. 104326, .                                         DOI: 10.1016/j.nanoen.2019.104326

 

Camarillo-Salazar, E., Garcia-Diaz, R., Avila-Alvarado, Y., Guerrero-Sanchez, J., Romero de la Cruz, M.T., Hernández Cocoletzi, G. Ab initio study of the adsorption and dissociation of NO2 on pristine and Cu decorated ZnO(0001)-3 × 3 (2020) Applied Surface Science, 500, art. no. 144031, .     DOI: 10.1016/j.apsusc.2019.144031

Fernández-Escamilla, H.N., Guerrero-Sánchez, J., Martínez-Guerra, E., Takeuchi, N. Adsorption and dissociation of NO2 on silicene (2019) Applied Surface Science, 498, art. no. 143854, .  DOI: 10.1016/j.apsusc.2019.143854

 

Herrera-Rodríguez, F., Martínez-Aguilar, E., Guerrero-Sánchez, J., Rodríguez, J.A., Moreno-Armenta, M.G. Oxygen adsorption on Graphene/GaN (0001) surface: A first-principles study (2019) Surface Science, 690, art. no. 121481, .  DOI: 10.1016/j.susc.2019.121481

 

Fernández-Escamilla, H.N., Quijano-Briones, J.J., Guerrero-Sánchez, J., Martínez-Guerra, E., Takeuchi, N. Puckered arsenene single-walled nanotubes: Stability, geometry, and electronic properties (2019) Computational Materials Science, 169, art. no. 109108, .                                           DOI: 10.1016/j.commatsci.2019.109108

 

Gutierrez-Ojeda, S.J., Guerrero-Sanchez, J., Ponce-Perez, R., Varalda, J., Mosca, D.H., L., M.D.L.G., Gregorio, H.C. Manganese‑germanium nanostructure formation on the GaAs(111)–(1 × 1)A surface: Stability and magnetic properties (2019) Applied Surface Science, 491, pp. 147-153.  DOI: 10.1016/j.apsusc.2019.06.021

 

Cao, Y., Chen, B., Guerrero-Sánchez, J., Lee, I., Zhou, X., Takeuchi, N., Zaera, F. Controlling Selectivity in Unsaturated Aldehyde Hydrogenation Using Single-Site Alloy Catalysts (2019) ACS Catalysis, 9 (10), pp. 9150-9157.  DOI: 10.1021/acscatal.9b02547

 

Ponce-Pérez, R., de la Cruz, M.T.R., Gutiérrez-Ojeda, S.J., Guerrero-Sánchez, J., Varalda, J., Cocoletzi, G.H. Initial stages of the epitaxial growth of MnN on the GaAs (001)-(2 × 2) surface: First-principle study (2019) Applied Surface Science, 489, pp. 639-647.  DOI: 10.1016/j.apsusc.2019.06.047

 

Garcia-Diaz, R., Romero de la Cruz, M.T., Ochoa Valiente, R., Guerrero-Sanchez, J., Hernández Cocoletzi, G. DFT study for OH radical formation on SrTiO3(001) surface and the effect of Bi (2019) Applied Surface Science, 487, pp. 1394-1402.  DOI: 10.1016/j.apsusc.2019.05.134

 

Ventura-Macias, E., Guerrero-Sánchez, J., Corbett, J.P., Smith, A.R., Takeuchi, N. Nitrogen-induced reconstructions on the Cr(001) surface (2019) Applied Surface Science, 484, pp. 578-586.  DOI: 10.1016/j.apsusc.2019.04.126

 

Cuba-Supanta, G., Guerrero-Sánchez, J., Rojas-Tapia, J., Landauro, C.V., Takeuchi, N. Formaldehyde trapping by radical initiated reaction on hydrogenated boron nitride (2019) Applied Surface Science, 484, pp. 470-478.  DOI: 10.1016/j.apsusc.2019.04.001

 

Noguerón, A., Fernández-Escamilla, H.N., Guerrero-Sánchez, J., Takeuchi, N. Formaldehyde adsorption on a hydrogenated aluminum nitride monolayer: A self-propagated reaction (2019) Computational and Theoretical Chemistry, 1159, pp. 18-22. DOI: 10.1016/j.comptc.2019.05.004

 

Guerrero-Sánchez, J., Munoz-Pizza, D.M., Takeuchi, N. Silicene as an efficient way to fully inactivate the SO 2 pollutant (2019) Applied Surface Science, 479, pp. 847-851.  DOI: 10.1016/j.apsusc.2019.02.078

 

Zarmiento-García, R., Guerrero-Sánchez, J., Takeuchi, N. Functionalization of silicene and silicane with benzaldehyde (2019) Journal of Molecular Modeling, 25 (5), art. no. 109, .  DOI: 10.1007/s00894-019-3997-4

 

Corbett, J.P., Guerrero-Sanchez, J., Gallagher, J.C., Mandru, A.-O., Richard, A.L., Ingram, D.C., Yang, F., Takeuchi, N., Smith, A.R. Dislocation structures, interfacing, and magnetism in the L10-MnGa on η ⊥-Mn3N2 bilayer (2019) Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films, 37 (3), art. no. 031102, .  DOI: 10.1116/1.5081960

 

Yao, Y., Guerrero-Sánchez, J., Takeuchi, N., Zaera, F. Coadsorption of Formic Acid and Hydrazine on Cu(110) Single-Crystal Surfaces (2019) Journal of Physical Chemistry C, 123 (13), pp. 7584-7593.  DOI: 10.1021/acs.jpcc.8b01804

 

Fernández-Escamilla, H.N., Guerrero-Sánchez, J., Martínez-Guerra, E., Takeuchi, N. Structural and Electronic Properties of Double-Walled Black Phosphorene Nanotubes: A Density Functional Theory Study (2019) Journal of Physical Chemistry C, 123 (12), pp. 7217-7224.                                 DOI: 10.1021/acs.jpcc.9b00346

 

Guerrero-Sánchez, J., Takeuchi, N., Zaera, F. Density Functional Theory Study of the Surface Adsorption and Dissociation of Copper(I) Acetamidinates on Cu(110) Surfaces (2019) Journal of Physical Chemistry C, 123 (7), pp. 4341-4348.  DOI: 10.1021/acs.jpcc.8b12131

 

Garcia-Diaz, R., Guerrero-Sánchez, J., Fernández-Escamilla, H.N., Takeuchi, N. DFT study of the dimethyl sulfoxide reduction on silicene (2019) Applied Surface Science, 467-468, pp. 261-267.  DOI: 10.1016/j.apsusc.2018.10.114

 

Contreras, E., Dominguez, D., Tiznado, H., Guerrero-Sanchez, J., Takeuchi, N., Alonso-Nunez, G., Contreras, O.E., Oropeza-Guzmán, M.T., Romo-Herrera, J.M. N-Doped carbon nanotubes enriched with graphitic nitrogen in a buckypaper configuration as efficient 3D electrodes for oxygen reduction to H2O2 (2019) Nanoscale, 11 (6), pp. 2829-2839.  DOI: 10.1039/c8nr08384c

 

Fernández-Escamilla, H.N., Guerrero-Sánchez, J., Garcia-Diaz, R., Martínez-Guerra, E., Takeuchi, N. Adsorption of dimethyl sulfoxide on blue phosphorene (2019) Surface Science, 680, pp. 88-94.  DOI: 10.1016/j.susc.2018.10.019

 

Quijano-Briones, J.J., Fernández-Escamilla, H.N., Guerrero-Sánchez, J., Martínez-Guerra, E., Takeuchi, N. Structural transition induced by compression and stretching of puckered arsenene nanotubes (2019) Physical Chemistry Chemical Physics, 21 (40), pp. 22467-22474.  DOI: 10.1039/c9cp05000k