{"id":1920,"date":"2024-11-19T19:45:08","date_gmt":"2024-11-19T19:45:08","guid":{"rendered":"https:\/\/www.cnyn.unam.mx\/?p=1920"},"modified":"2024-11-21T22:33:43","modified_gmt":"2024-11-21T22:33:43","slug":"guerrero-sanchez-jonathan","status":"publish","type":"post","link":"https:\/\/www.cnyn.unam.mx\/?p=1920","title":{"rendered":"GUERRERO S\u00c1NCHEZ JONATHAN"},"content":{"rendered":"

[vc_row equal_height=”yes” content_placement=”top”][vc_column][vc_empty_space height=”250px”][vc_row_inner equal_height=”yes” gap=”20″][vc_column_inner width=”1\/2″][vc_single_image image=”1822″ img_size=”full”][\/vc_column_inner][vc_column_inner width=”1\/2″ css=”.vc_custom_1479908253063{padding-right: 7% !important;}”]

DR. JONATHAN GUERRERO S\u00c1NCHEZ<\/h1><\/div>

MODELACI\u00d3N DE NANOMATERIALES<\/h1><\/div>[vc_column_text]Categori\u0301a: Investigador Asociado C TC<\/span><\/p>\n

Pride:\u00a0 B<\/span><\/p>\n

SNI:\u00a0 II<\/span><\/p>\n

Email: jguerrero@ens.cnyn.unam.mx<\/span><\/p>\n

ORCID: https:\/\/orcid.org\/0000-0003-1457-9677\u00a0<\/a><\/span><\/p>\n

Scopus Author ID : 55551843800<\/span><\/p>\n

Google Scholar: https:\/\/scholar.google.com.au\/citations?hl=en&user=XOBMvEIAAAAJ&view_op=list_works&sortby=pubdate<\/a><\/span>[\/vc_column_text][\/vc_column_inner][\/vc_row_inner][\/vc_column][\/vc_row][vc_row][vc_column][vc_empty_space][vc_tta_tabs title_tag=”h6″ section_title_tag=”h6″ color=”sky” active_section=”1″ css=”.vc_custom_1730227895934{background-color: #ffffff !important;}”][vc_tta_section title=”Semblanza” tab_id=”1729271023380-df645bcb-6dda”][vc_column_text]<\/p>\n

El Dr. Jonathan Guerrero S\u00e1nchez, es un investigador joven con una vasta experiencia en el estudio de materiales magn\u00e9ticos y no magn\u00e9ticos a trav\u00e9s del uso de c\u00e1lculos de primeros principios (cu\u00e1ntico-computacionales). Es investigador Titular A de Tiempo Completo en el Centro de Nanociencias y Nanotecnolog\u00eda. En su trayectoria de investigaci\u00f3n ha publicado alrededor de 150 art\u00edculos en revistas indizadas de circulaci\u00f3n internacional, con 980 citas y un factor Hirsh de 14. Tiene un promedio de publicaciones por a\u00f1o -desde que se desarrolla como investigador- de ~21. Cuenta con publicaciones en revistas de la importancia de Science, Advanced Energy Materials, NanoEnergy, entre otras. Su principal inter\u00e9s es el desarrollo de estudios te\u00f3rico-experimentales. Cuenta con colaboraciones consolidadas con investigadores experimentales y te\u00f3ricos de estados unidos como el Dr. Joseph P. Corbett (Miami University), Chetan Dital (Kenessaw State University), Jay Gupta (Ohio State University), Arthur R. Smith (Ohio University) y Dr. Aldo H. Romero (West Virginia University), entre otros.<\/span><\/h6>\n

[\/vc_column_text][\/vc_tta_section][vc_tta_section title=”L\u00edneas de Investigaci\u00f3n” tab_id=”1729271023396-f67088dd-6459″][vc_column_text]<\/p>\n

Estudio de superficies, interfaces y su modificaci\u00f3n para la adsorci\u00f3n de \u00e1tomos y mol\u00e9culas.<\/span><\/h6>\n
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Estudio de las propiedades estructurales, electr\u00f3nicas y magn\u00e9ticas de nanomateriales.<\/span><\/h6>\n

[\/vc_column_text][vc_separator][\/vc_tta_section][vc_tta_section title=”Proyectos” tab_id=”1731704736912-635b9f57-68dd”][vc_column_text]<\/p>\n

Estudio a escala at\u00f3mica de materiales nanoestructurados de complejos h\u00edbridos inorg\u00e1nicos-inorg\u00e1nicos y org\u00e1nicos-inorganicos con diversas aplicaciones nanotecnol\u00f3gicas, Proyecto de Grupo PAPIIT, Numero de Proyecto IG101124, $3,300,00.00 pesos, Investigador responsable. 2024-2027. Proyecto sometido<\/span><\/h6>\n

 <\/p>\n

Superficies, interfaces y nanoestructuras con aplicaciones tecnol\u00f3gicas: estabilidad, trayectorias de reacci\u00f3n y propiedades magn\u00e9ticas, Proyectos de obra determinada PAPIIT, Numero de proyecto IA100822, $400,000.00 pesos, Investigador responsable. 2022-2023.<\/span><\/h6>\n

 <\/p>\n

Superficies, interfaces y nanoestructuras con aplicaciones en espintr\u00f3nica: estabilidad, estructura electr\u00f3nica y magnetismo a nanoescala, Proyectos de obra determinada PAPIIT, Numero de proyecto IA100920, $400,000.00 pesos, Investigador responsable. 2020-2021.<\/span><\/h6>\n

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Superficies e interfaces de materiales con aplicaciones en espintr\u00f3nica: estructura electr\u00f3nica y magnetismo a nanoescala. Proyecto de investigacion grande, numero de proyecto LANCAD-UNAM-DGTIC-368, Investigador responsable, 2019-2022.<\/span><\/h6>\n

 <\/p>\n

Superficies e interfaces de materiales con aplicaciones en espintr\u00f3nica, Laboratorio Nacional de Supercomputo del Sureste de M\u00e9xico (LNS), Proyecto de investigaci\u00f3n grande, numero de proyecto 201901040N, Investigador responsable, 2019, 2020, 2021, 2022.<\/span><\/h6>\n

 <\/p>\n

Efecto de los arreglos at\u00f3micos superficiales en las propiedades magn\u00e9ticas de aleaciones de Heusler, Centro Nacional de Supercomputo (IPICYT), Proyecto de investigacion, Investigador responsable, 2020, 2021, 2022.<\/span><\/h6>\n

[\/vc_column_text][\/vc_tta_section][vc_tta_section title=”T\u00e9sis dirigidas” tab_id=”1729282669022-627269d2-aab2″]

\n\t\t
\n\t\t\t\t\t
Doctorado\n\t\t\t\t\t <\/div><\/div>\n\t\t\t\t<\/div>
[vc_column_text]<\/p>\n
M.C. Jos\u00e9 Israel P\u00e1ez Ornelas, Adsorci\u00f3n de \u00e1tomos y mol\u00e9culas sobre superficies, Doctorado en Nanociencias, CNyN-CICESE, UNAM. Finalizada. Obtenci\u00f3n de grado 30 de agosto de 2022.<\/span><\/h6>\n

 <\/p>\n

M.C. Sergio Castillo Robles, Adsorci\u00f3n de furfural en g-C3N4. Doctorado en Ciencia e Ingenieria de Materiales, UNAM. En proceso.<\/span><\/h6>\n

 <\/p>\n

M.C. Jonathan Efra\u00edn Rodr\u00edguez Hueso, Estudio experimental-computacional de los mecanismos de detecci\u00f3n del h\u00edbrido TiO2-Gr en presencia de gas LP. Doctorado en Nanociencias, CNyN-CICESE, UNAM. Codirecci\u00f3n con Dr. Hugo A. Borb\u00f3n N\u00fa\u00f1ez (Estudio te\u00f3rico-experimental). En proceso.<\/span><\/h6>\n

 <\/p>\n

Erica Valencia G\u00f3mez, Estudio de la adsorci\u00f3n de mol\u00e9culas de di\u00f3xido de carbono, mediante la teor\u00eda del funcional de la densidad, en estructuras de grafeno y grafeno oxidado. Doctorado en Ciencias Qu\u00edmicas, Universidad del Quind\u00edo, Colombia. En proceso.<\/span><\/h6>\n

[\/vc_column_text]<\/div><\/div>\n\n\t\t\t<\/div>

\n\t\t
\n\t\t\t\t\t
Maestr\u00eda\n\t\t\t\t\t <\/div><\/div>\n\t\t\t\t<\/div>
[vc_column_text]<\/p>\n
Fredy Alexander Hoyos Ariza, Influencia de la Cobertura de \u00d3xidos en las Propiedades El\u00e9ctricas de Mol\u00e9culas de Grafeno Oxidado Reducido V\u00eda Simulaci\u00f3n Computacional por DFT, Maestr\u00eda en Ciencias de los Materiales, Instituto Interdisciplinario de las Ciencias de la Universidad del Quind\u00edo. Asesor Internacional. Concluida. Obtenci\u00f3n del grado 25 de Marzo de 2021.<\/span><\/h6>\n

 <\/p>\n

Jonathan Efra\u00edn Rodr\u00edguez Hueso, Estudio te\u00f3rico-experimental de los procesos de nucleaci\u00f3n de TiO2 sobre nanoestructuras de carbono. Maestr\u00eda en Nanociencias, CNyN-CICESE, UNAM. Codirecci\u00f3n con Dr. Hugo A. Borbon Nu\u00f1ez. Concluida. Obtenci\u00f3n del grado 5 de agosto de 2021.<\/span><\/h6>\n

 <\/p>\n

Ricardo Miguel Ruvalcaba Briones, Simulaciones computacionales aplicadas a superficies met\u00e1licas con relevancia tecnol\u00f3gica. Maestr\u00eda en Nanociencias, CNyN-CICESE, UNAM. Concluida. Obtenci\u00f3n del grado 5 de agosto de 2022.<\/span><\/h6>\n

 <\/p>\n

Jimena Magdalena Jacobo Fern\u00e1ndez, Adsorci\u00f3n de metals de transici\u00f3n no magn\u00e9ticos en superficies reconstruidas de oxido de zinc (000-1). Maestr\u00eda en Nanociencias, CNyN-CICESE, UNAM. Concluida. Obtenci\u00f3n del grado 13 de octubre de 2022.<\/span><\/h6>\n

 <\/p>\n

Roci\u00f3 Gonz\u00e1lez D\u00edaz, An\u00e1lisis a escala at\u00f3mica de interfaces magn\u00e9ticas con aplicaciones en espintr\u00f3nica. Maestr\u00eda en Nanociencias, CNyN-CICESE, UNAM. Tesis en Finalizada. (21 oct 2023).<\/span><\/h6>\n

 <\/p>\n

Jos\u00e9 Daniel Guti\u00e9rrez Londo\u00f1o, Maestr\u00eda en Nanociencias, CNyN-CICESE, UNAM. Tesis en proceso.<\/span><\/h6>\n

 <\/p>\n

Jair Othoniel Dom\u00ednguez God\u00ednez, Maestr\u00eda en Nanociencias, CNyN-CICESE, UNAM. Tesis en proceso. Codirecci\u00f3n interdisciplinaria.<\/span><\/h6>\n

 <\/p>\n

Gabriel Mart\u00ednez Guti\u00e9rrez, Maestr\u00eda en Nanociencias, CNyN-CICESE, UNAM. Tesis en proceso. Codirecci\u00f3n interdisciplinaria.<\/span><\/h6>\n

[\/vc_column_text]<\/div><\/div>\n\n\t\t\t<\/div>

\n\t\t
\n\t\t\t\t\t
Licenciatura\n\t\t\t\t\t <\/div><\/div>\n\t\t\t\t<\/div>
[vc_column_text]<\/p>\n
Emiliano Ventura Macias, Simulaci\u00f3n por primeros principios de la funcionalizaci\u00f3n de grafeno hidrogenado con formaldeh\u00eddo. Licenciatura en Nanotecnolog\u00eda, CNyN-UNAM. Co-direcci\u00f3n con Dr. Noboru Takeuchi. 3 de Agosto de 2017. Tesis finalizada.<\/span><\/h6>\n

 <\/p>\n

Rubi Zarmiento Garcia, Simulaciones computacionales de la funcionalizaci\u00f3n de siliceno y silicano con benzaldeh\u00eddo. Licenciatura en Nanotecnolog\u00eda, CNyN-UNAM. Co-direcci\u00f3n con Dr. Noboru Takeuchi. 23 de Junio de 2018. Tesis finalizada.<\/span><\/h6>\n

 <\/p>\n

Alejandro Nogueron Aramburu, Determinaci\u00f3n por primeros principios de la estructura de la interfase de MnGa(001) depositado sobre CoGa(001). Licenciatura en Nanotecnolog\u00eda CNyN-UNAM (Menci\u00f3n Honor\u00edfica). Co-direcci\u00f3n con Dr. Noboru Takeuchi. 11 de Junio de 2019. Tesis finalizada.<\/span><\/h6>\n

 <\/p>\n

Ricardo Ruvalcaba Briones, Estudios Ab-initio de la fase L12 y D03 del Fe3Ga y de la reconstrucci\u00f3n superficial inducida por deformaci\u00f3n en el D03-Fe3Ga(001) magnetostrictivo. Licenciatura en Nanotecnolog\u00eda, CNyN-UNAM (Menci\u00f3n Honor\u00edfica). 2 de Julio de 2020. Tesis finalizada.<\/span><\/h6>\n

 <\/p>\n

Etienne Israel Palos, Theoretical studies of ternary transition metal chalcogenides based on density functional theory, Licenciatura en Nanotecnolog\u00eda, CNyN-UNAM. Junio de 2020. Tesis finalizada.<\/span><\/h6>\n

 <\/p>\n

Daniel Maldonado, Estudio de primeros principios de la interface IrMn2\/Fe y su relaci\u00f3n con la anisotrop\u00eda de intercambio, Licenciatura en Nanotecnolog\u00eda, CNyN-UNAM (Menci\u00f3n Honor\u00edfica). 15 de Octubre de 2020. Tesis finalizada.<\/span><\/h6>\n

 <\/p>\n

Axel Melchor Gaona Carranza, Predicci\u00f3n de nuevos materiales aururos con estructura tipo perovskita doble, Licenciatura en Nanotecnolog\u00eda, CNyN-UNAM. 10 de Junio de 2021. Tesis finalizada.<\/span><\/h6>\n

 <\/p>\n

Enrique Lugo Mart\u00ednez, An\u00e1lisis estructural de un modelo de nanotubo de carbono ante la generaci\u00f3n de vacancias y adici\u00f3n de clusters de Pt, Licenciatura en Nanotecnolog\u00eda, UNAM, 03 de Noviembre de 2022. Tesis finalizada<\/span><\/h6>\n

 <\/p>\n

Jose Daniel Guti\u00e9rrez Londo\u00f1o, Estudio del efecto de la temperatura en la magnetoresistencia de pel\u00edculas de grafeno oxidado, Licenciatura en F\u00edsica, Universidad del Quind\u00edo, Colombia, 03 de Agosto de 2023. Tesis finalizada.<\/span><\/h6>\n

 <\/p>\n

Laura Valentina Guti\u00e9rrez L\u00f3pez, Estudio de la adsorci\u00f3n de cloruro de sodio en grafeno oxidado via DFT, Licenciatura en Qu\u00edmica, Universidad del Quind\u00edo, Colombia, En proceso.<\/span><\/h6>\n

 <\/p>\n

Samuel Flores Garc\u00eda, Superficies de Mn3Ge: efectos de las vacancias en el ordenamiento tipo Kagome, Ingenier\u00eda en Nanotecnolog\u00eda, Universidad Aut\u00f3noma de Baja California, En proceso.<\/span><\/h6>\n

[\/vc_column_text]<\/div><\/div>\n\n\t\t\t<\/div>[vc_column_text][\/vc_column_text][\/vc_tta_section][vc_tta_section title=”Resultados mas relevantes” tab_id=”1729282773369-17f0c26e-fe18″][vc_column_text]<\/p>\n

Jonathan E. Rodriguez Hueso, Hugo Borb\u00f3n-Nu\u00f1ez, R. Ponce-P\u00e9rez, Hoat Do Minh, Noboru Takeuchi, Hugo Tiznado, Jonathan Guerrero-S\u00e1nchez, Atomic-scale study of the TiO2-GR nanohybrid formation by ALD: The effect of the gas phase precursor, Nanoscale Advances, 7 Sept 2023, https:\/\/doi.org\/10.1039\/D3NA00729D. Impact Factor: 4.7, Q1 (Materials Science).<\/span><\/h6>\n

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J.M. Jacobo-Fernandez, C. Corona-Garcia, R. Ponce-Perez, H.A. Borbon-Nunez, Do Minh Hoat, A. Reyes-Serrato, J. Guerrero-Sanchez, Spin-Polarized Total-Energy Calculations on Designing Magnetic Single-Atom Catalysts on the ZnO(0001\u0305) Surface with Pt and Pd, ACS Applied Nano Materials, 1 September 2023, https:\/\/doi.org\/10.1021\/acsanm.3c02944. Impact Factor 5.9, Q1 (Materials Science).<\/span><\/h6>\n

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Dhital, R. L. Dally, R. Ruvalcaba, R. Gonzalez-Hernandez, J. Guerrero-Sanchez, H. B. Cao, Q. Zhang, W. Tian, Y. Wu, M. D. Frontzek, S. K. Karna, A. Meads, B. Wilson, R. Chapai, D. Graf, J. Bacsa, R. Jin, J. F. DiTusa, Multi-k magnetic structure and large anomalous Hall effect in candidate magnetic Weyl semimetal NdAlGe, Physical Review B, 107, 224414 (2023). Impact Factor 4.036, Q1 (Condensed Matter Physics).<\/span><\/h6>\n

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T.A. Zepeda, R. Ponce-P\u00e9rez, A. Solis-Garcia, J. Guerrero-Sanchez, S. Fuentes, S.A. Gomez, Boosting oxygen activation in ceria-oxide via gallium addition, Applied Catalysis B: Environmental, 336, 122936 (2023). Impact Factor 24.319, Q1 (Catalysis).<\/span><\/h6>\n

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Maldonado-Lopez, J.R. Rodriguez, V.G. Pol, R. Syamsai, N.G. Andrews, S.J. Gutierrez- Ojeda, R. Ponce-Perez, Ma G. Moreno-Armenta, J. Guerrero-Sanchez, Atomic-Scale Understanding of Li Storage Processes in the Ti4C3 and Chemically Ordered Ti2Ta2C3 MXenes: A Theoretical and Experimental Assessment, ACS Appl. Energy Mater., https:\/\/doi.org\/10.1021\/acsaem.1c03239. Impact Factor 6.959, Q1 (Materials Chemistry).<\/span><\/h6>\n

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Repicky, Po-Kuan Wu, Tao Liu, J.P. Corbett, T. Zhu, S. Cheng, A. S. Ahmed, N. Takeuchi, J. Guerrero-Sanchez, M. Randeria, R.K. Kawakami, J.A. Gupta, Atomic-scale visualization of topological spin textures in the chiral magnet MnGe, Science, 374, 1484-1487, 2021. Impact Factor 47.73, Q1 (Multidisciplinary).<\/span><\/h6>\n

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Hector Noe Fernandez\u2010Escamilla, J. Guerrero-Sanchez, Enrique Contreras, Jose Manuel Ruiz\u2010Marizcal, Gabriel Alonso\u2010Nunez, Oscar E Contreras, Rosa Mar\u00eda Felix\u2010Navarro, Jose M Romo\u2010Herrera*, Noboru Takeuchi, Understanding the Selectivity of the Oxygen Reduction Reaction at the Atomistic Level on Nitrogen\u2010Doped Graphitic Carbon Materials, Adv. Energy Mater, 2002459 (2020) 1-12. Impact Factor: 29.700, Q1 (Materials Science). <\/span><\/h6>\n

[\/vc_column_text][\/vc_tta_section][vc_tta_section title=”Publicaciones de los \u00faltimos 5 a\u00f1os” tab_id=”1729282809564-c412fc24-466b”]

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2023\n\t\t\t\t\t <\/div><\/div>\n\t\t\t\t<\/div>
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Belman-Rodriguez, C., Ponce-Perez, R., Reyes, A.M., Galindez-Jamioy, C.A., Soto, G., Far\u00edas, M.H., Guerrero-S\u00e1nchez, J., Moreno-Armenta, M.G., Reyes-Serrato, A., Aguila, S.A. <\/span>Experimental and theoretical assessment of the Eu3+ doped Bi4Ge3O12 (2023) Journal of Alloys and Compounds, 966, art. no. 171567, .\u00a0<\/span>DOI: 10.1016\/j.jallcom.2023.171567<\/span><\/h6>\n

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<\/h6>\n
Ponce-Perez, R., Guerrero-Sanchez, J., Gutierrez-Ojeda, S.J., Fernandez-Escamilla, H.N., Hoat, D.M., Moreno-Armenta, M.G.<\/span>A candidate exchange-biased vdW heterostructure based on Cr2NO2 and Cr2CF2 Mxenes (2023) Materials Today Electronics, 6, art. no. 100059, .\u00a0<\/span>DOI: 10.1016\/j.mtelec.2023.100059<\/span><\/h6>\n
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Arango Hoyos, B.E., Osorio, H.F., Valencia G\u00f3mez, E.K., Guerrero S\u00e1nchez, J., Del Canto Palominos, A.P., Larrain, F.A., Pr\u00edas Barrag\u00e1n, J.J.<\/span>Exploring the capture and desorption of CO2 on graphene oxide foams supported by computational calculations (2023) Scientific Reports, 13 (1), art. no. 14476, .\u00a0<\/span>DOI: 10.1038\/s41598-023-41683-4<\/span><\/h6>\n
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Moreno-Armenta, M.G., Guerrero-S\u00e1nchez, J., Guti\u00e9rrez-Ojeda, S.J., Fern\u00e1ndez-Escamilla, H.N., Hoat, D.M., Ponce-P\u00e9rez, R.<\/span>Theoretical investigation of the MXene precursors MoxV4-xAlC3 (0 \u2264 x \u2264 4) (2023) Scientific Reports, 13 (1), art. no. 3271, .\u00a0 <\/span>DOI: 10.1038\/s41598-023-30443-z<\/span><\/h6>\n

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<\/h6>\n
Zepeda, T.A., Ponce-P\u00e9rez, R., Solis-Garcia, A., Guerrero-Sanchez, J., Fuentes, S., Gomez, S.A.<\/span>Boosting oxygen activation in ceria-oxide via gallium addition (2023) Applied Catalysis B: Environmental, 336, art. no. 122936, .\u00a0<\/span>DOI: 10.1016\/j.apcatb.2023.122936<\/span><\/h6>\n

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<\/h6>\n
L\u00f3pez-Gonz\u00e1lez, L.E., Guerrero-S\u00e1nchez, J., Tiznado, H. <\/span>Soft removal of stearic acid self-assembled monolayer for area-selective atomic layer deposition<\/span>(2023) Surfaces and Interfaces, 41, art. no. 103298, .\u00a0 <\/span>DOI: 10.1016\/j.surfin.2023.103298<\/span><\/h6>\n

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Hernandez, J.M.G., Guerrero-Sanchez, J., Ponce-Perez, R., Takeuchi, N.<\/span>Assessing the stability of Kagome D019-Mn3Ga (0001) surfaces: A first-principles study (2023) Surfaces and Interfaces, 41, art. no. 103167, .\u00a0<\/span>DOI: 10.1016\/j.surfin.2023.103167<\/span><\/h6>\n

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<\/h6>\n
Ram\u00edrez-Montes, L., Moreno-Armenta, M.G., Guerrero-S\u00e1nchez, J., Ponce-P\u00e9rez, R., Gonz\u00e1lez-Hern\u00e1ndez, R., L\u00f3pez-P\u00e9rez, W.<\/span>Tuning the electronic and thermoelectric properties of selenium monolayers through atomic impurities: A DFT study (2023) Solid State Communications, 371, art. no. 115268, .\u00a0<\/span>DOI: 10.1016\/j.ssc.2023.115268<\/span><\/h6>\n

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Hoyos-Ariza, F.A., Prias-Barragan, J.J., Galv\u00e1n, D.H., Guerrero-S\u00e1nchez, J., Ariza-Calderon, H.<\/span>Graphene nanostructures functionalization: Hydrogen bonds and oxide coverage effect <\/span>(2023) Materials Today Communications, 36, art. no. 106861, .\u00a0<\/span>DOI: 10.1016\/j.mtcomm.2023.106861<\/span><\/h6>\n

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Huy, H.A., Nguyen, D.K., Ponce-P\u00e9rez, R., Guerrero-Sanchez, J., Hoat, D.M. <\/span>Electronic and magnetic properties of SnC monolayer doped with 3d transition metals: A first-principles study (2023) Materials Today Communications, 36, art. no. 106511, .\u00a0<\/span>DOI: 10.1016\/j.mtcomm.2023.106511<\/span><\/h6>\n

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Fernandez-Escamilla, H.N., Paez-Ornelas, J.I., Hoat, D.M., Gonzalez-Hernandez, R., Takeuchi, N., Guerrero-Sanchez, J., Perez-Tijerina, E.G. <\/span>2D MnC4: A Room-Temperature Antiferromagnetic System (2023) Advanced Theory and Simulations, 6 (8), art. no. 2300193,. <\/span>DOI:10.1002\/adts.202300193<\/span><\/h6>\n

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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.<\/span>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, .\u00a0<\/span>DOI: 10.1116\/6.0002655<\/span><\/h6>\n

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Ha, C.V., Nguyen Thi, B.N., Trang, P.Q., Ponce-P\u00e9rez, R., Kim Lien, V.T., Guerrero-Sanchez, J., Hoat, D.M.<\/span>Semiconductor and topological phases in lateral heterostructures constructed from germanene and AsSb monolayers (2023) RSC Advances, 13 (26), pp. 17968-17977.\u00a0<\/span>DOI:<\/span> 10.1039\/d3ra01867a<\/span><\/h6>\n

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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.<\/span>Multi- k magnetic structure and large anomalous Hall effect in candidate magnetic Weyl semimetal NdAlGe (2023) Physical Review B, 107 (22), art. no. 224414, .\u00a0<\/span>DOI: 10.1103\/PhysRevB.107.224414<\/span><\/h6>\n

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Castillo-Robles, S., Ponce-P\u00e9rez, R., Paez-Ornelas, J.I., Hoat, D.M., Reyes-Serrato, A., Guerrero-Sanchez, J.<\/span>Furfural adsorption on the g-C3N4 monolayer: A DFT analysis (2023) Materials Today Communications, 35, art. no. 106288, .\u00a0<\/span>DOI: 10.1016\/j.mtcomm.2023.106288<\/span><\/h6>\n

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Ha, C.V., Ha, L.T., Hue, D.T., Nguyen, D.K., Anh, D.T., Guerrero-Sanchez, J., Hoat, D.M.<\/span>First-principles study of SiC and GeC monolayers with adsorbed non-metal atoms (2023) RSC Advances, 13 (22), pp. 14879-14886.\u00a0<\/span>DOI: 10.1039\/d3ra01372c<\/span><\/h6>\n

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Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M. <\/span>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.\u00a0<\/span>DOI: 10.1557\/s43578-023-00989-9<\/span><\/h6>\n

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Fern\u00e1ndez-Escamilla, H.N., Paez-Ornelas, J.I., Guti\u00e9rrez-Lazos, C.D., Sol\u00eds-Pomar, F.J., Guerrero-S\u00e1nchez, J., P\u00e9rez-Tijerina, E.G.<\/span>Bismuth and oxygen vacancies induce (2 \u00d7 1) reconstructions in bismuth oxyhalide (BiOX, X = Cl, Br, I) (0 0 1) surfaces (2023) Applied Surface Science, 618, art. no. 156583, .\u00a0<\/span>DOI: 10.1016\/j.apsusc.2023.156583<\/span><\/h6>\n

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Ponce-P\u00e9rez, R., Guerrero-Sanchez, J., Hoat, D.M.<\/span>Half-metallic and magnetic semiconductor behavior in CdO monolayer induced by acceptor impurities (2023) Physical Chemistry Chemical Physics, 25 (20), pp. 14266-14273.\u00a0<\/span>DOI: 10.1039\/d3cp01268a<\/span><\/h6>\n

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Ha, C.V., Nguyen Thi, B.N., Trang, P.Q., Ponce-P\u00e9rez, R., Guerrero-Sanchez, J., Hoat, D.M.<\/span>Novel germanene-arsenene and germanene-antimonene lateral heterostructures: interline-dependent electronic and magnetic properties (2023) Physical Chemistry Chemical Physics, 25 (20), pp. 14502-14510.\u00a0<\/span>DOI: 10.1039\/d3cp00828b<\/span><\/h6>\n

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Van On, V., Thuy, H.T.P., Van Ngoc, H., Guerrero-Sanchez, J., Hoat, D.M.<\/span>ZrSe2-HfSe2 lateral heterostructures: stability, fundamental properties, and interline defects (2023) Applied Physics A: Materials Science and Processing, 129 (4), art. no. 259, .\u00a0<\/span>DOI: 10.1007\/s00339-023-06522-3<\/span><\/h6>\n

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Van On, V., Rivas-Silva, J.F., Cocoletzi, G.H., Guerrero-Sanchez, J., Hoat, D.M.<\/span>Feature-rich electronic and magnetic properties in silicene monolayer induced by nitrogenation: A first-principles study (2023) Chemical Physics, 568, art. no. 111844, .\u00a0<\/span>DOI: 10.1016\/j.chemphys.2023.111844<\/span><\/h6>\n

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Van On, V., Van Ngoc, H., Thuy, H.T.P., Guerrero-Sanchez, J., Hoat, D.M.<\/span>An investigation on the stability, electronic, and optical properties of new MoSO\u2013WSO lateral heterostructures (2023) Applied Surface Science, 613, art. no. 155980, .\u00a0<\/span>DOI: 10.1016\/j.apsusc.2022.155980<\/span><\/h6>\n

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Ruvalcaba, R., Hoat, D.M., Corbett, J.P., Guerrero-Sanchez, J.<\/span>First principles characterization of C-doped magnetically-enhanced D022-Mn3Ga surfaces (2023) Computational Materials Science, 220, art. no. 112027, .\u00a0<\/span>DOI: 10.1016\/j.commatsci.2023.112027<\/span><\/h6>\n

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Ruvalcaba, R., Guerrero-Sanchez, J., Takeuchi, N., Zaera, F.<\/span>Crotonaldehyde Adsorption on Cu-Pt Surface Alloys: A Quantum Mechanics Study (2023) Chemistry (Switzerland), 5 (1), pp. 463-478.\u00a0<\/span>DOI: 10.3390\/chemistry5010034<\/span><\/h6>\n

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Camarillo-Salazar, E., Garcia-Diaz, R., Romero de la Cruz, M.T., Avila-Alvarado, Y., Fernandez-Escamilla, H.N., Guerrero-Sanchez, J., Hern\u00e1ndez Cocoletzi, G.<\/span>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, .\u00a0<\/span>DOI: 10.1007\/s00894-023-05476-w<\/span><\/h6>\n

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Van On, V., Guerrero-Sanchez, J., Hoat, D.M.<\/span>Tuning the electronic and magnetic properties of MgO monolayer by nonmetal doping: A first-principles investigation (2023) Materials Today Communications, 34, art. no. 105422, .\u00a0<\/span>DOI: 10.1016\/j.mtcomm.2023.105422<\/span><\/h6>\n

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Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M.<\/span>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, .\u00a0<\/span>DOI: 10.1002\/pssr.202200427<\/span><\/h6>\n

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Nguyen, D.K., Bao, T.V., Kha, N.A., Ponce-P\u00e9rez, R., Guerrero-Sanchez, J., Hoat, D.M.<\/span>Searching for d0 spintronic materials: bismuthene monolayer doped with IVA-group atoms (2023) RSC Advances, 13 (9), pp. 5885-5892.\u00a0<\/span>DOI: 10.1039\/d2ra08278k<\/span><\/h6>\n

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Vu, T.V., Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M.<\/span>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, .\u00a0<\/span>DOI: 10.1088\/1402-4896\/acae43<\/span><\/h6>\n

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Ha, C.V., Nguyen, D.K., Anh, D.T., Guerrero-Sanchez, J., Hoat, D.M.<\/span>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.\u00a0<\/span>DOI: 10.1039\/d2nj05634h<\/span><\/h6>\n

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Van On, V., Ha, C.V., Guerrero-Sanchez, J., Hoat, D.M.<\/span>First-Principles Study of the C- and Si-Doped Buckled Honeycomb PN Monolayer (2023) Advanced Theory and Simulations, .\u00a0<\/span>DOI: 10.1002\/adts.202300593<\/span><\/h6>\n

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Rodr\u00edguez-Hueso, J.E., Borb\u00f3n-Nu\u00f1ez, H.A., Ponce-P\u00e9rez, R., Hoat, D.M., Takeuchi, N., Tiznado, H., Guerrero-S\u00e1nchez, J.<\/span>Atomic-scale study of TiO2-GR nanohybrid formation by ALD: the effect of the gas phase precursor (2023) Nanoscale Advances, .\u00a0<\/span>DOI: 10.1039\/d3na00729d<\/span><\/h6>\n

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Jacobo-Fern\u00e1ndez, J.M., Corona-Garc\u00eda, C.A., Ponce-P\u00e9rez, R., Borb\u00f3n-Nu\u00f1ez, H.A., Hoat, D.M., Reyes-Serrato, A., Guerrero-S\u00e1nchez, J.<\/span>Spin-Polarized Total-Energy Calculations on Designing Magnetic Single-Atom Catalysts on the ZnO(0001\u0305) Surface with Pt and Pd (2023) ACS Applied Nano Materials, .\u00a0<\/span>DOI: 10.1021\/acsanm.3c02944<\/span><\/h6>\n

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Huy, H.A., Nguyen-Tat, B.-T., Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M.<\/span>Point Defects in Buckled Honeycomb PAs Monolayer: A Systematic Study of Stability, Electronic, and Magnetic Properties (2023) Advanced Theory and Simulations, .\u00a0<\/span>DOI: 10.1002\/adts.202300416<\/span><\/h6>\n
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Bui, P.T., Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M.<\/span>Exploration of new direct gap semiconductor Na2X (X = S and Se) monolayers (2022) Applied Surface Science, 606, art. no. 154809, .\u00a0<\/span>DOI: 10.1016\/j.apsusc.2022.154809<\/span><\/h6>\n

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Galicia Hernandez, J.M., Fernandez-Escamilla, H.N., Guerrero Sanchez, J., Takeuchi, N.<\/span>Electronic and optical properties of the buckled and puckered phases of phosphorene and arsenene<\/span>(2022) Scientific Reports, 12 (1), art. no. 20979, .\u00a0<\/span>DOI: 10.1038\/s41598-022-24425-w<\/span><\/h6>\n

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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-S\u00e1nchez, J.<\/span>Evaluating the detection and trapping of small gas molecules on hydrogenated siligene (2022) Physica Scripta, 97 (12), art. no. 125828, .\u00a0<\/span>DOI: 10.1088\/1402-4896\/aca22b<\/span><\/h6>\n

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R\u00edos-Vargas, V., Ponce-P\u00e9rez, R., Moreno-Armenta, M.G., Guerrero-S\u00e1nchez, J.<\/span>Cr2Ge2Te6 nanoribbons with perpendicular magnetic anisotropy and half metallicity: a DFT study<\/span>(2022) Journal of Physics D: Applied Physics, 55 (48), art. no. 485003, .\u00a0<\/span>DOI: 10.1088\/1361-6463\/ac941b<\/span><\/h6>\n

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Fernandez-Escamilla, H.N., Takeuchi, N., Perez-Tijerina, E.G., Guerrero-S\u00e1nchez, J.<\/span>Pt2MnGa (001) surface stability and its effect on the magnetic and electronic properties: A DFT study (2022) Materials Today Communications, 33, art. no. 104467, .\u00a0<\/span>DOI: 10.1016\/j.mtcomm.2022.104467<\/span><\/h6>\n

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<\/h6>\n
Guerrero-Sanchez, J., Mu\u00f1oz-Pizza, D.M., Moreno-Armenta, M.G., Takeuchi, N.<\/span>Atomic-scale understanding of the Na and Cl trapping on the Mo1.33C(OH)2-Mxene (2022) Scientific Reports, 12 (1), art. no. 8340, .\u00a0<\/span>DOI: 10.1038\/s41598-022-12177-6<\/span><\/h6>\n

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Ponce-Perez, R., Moreno-Armenta, M.G., Guerrero-S\u00e1nchez, J.<\/span>Selective incorporation of Fe and Co into the Ni2MnGa (001) surfaces: a DFT analysis (2022) Surfaces and Interfaces, 34, art. no. 102367, .\u00a0<\/span>DOI: 10.1016\/j.surfin.2022.102367<\/span><\/h6>\n

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Nguyen, D.K., Guerrero-Sanchez, J., Rivas-Silva, J.F., Vu, T.V., Cocoletzi, G.H., Hoat, D.M.<\/span>Chemical functionalization of low-buckled SiGe monolayer: Effects on the electronic and magnetic properties (2022) Materials Science in Semiconductor Processing, 150, art. no. 106949,.\u00a0<\/span>DOI: 10.1016\/j.mssp.2022.106949<\/span><\/h6>\n

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Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M.<\/span>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.\u00a0<\/span>DOI: 10.1039\/d2cp04613j<\/span><\/h6>\n

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Rodriguez, J.R., Belman, C., Aguirre, S.B., Simakov, A., Aguila, S.A., Ponce-P\u00e9rez, R., Guerrero-S\u00e1nchez, J., Guadalupe Moreno, M., Sauceda, D., Pol, V.G.<\/span>Reversible Lithium-Ion Storage in h-Bi2Ge3O9-Based Anode: Experimental and Theoretical Studies (2022) Journal of Electroanalytical Chemistry, 923, art. no. 116804, .\u00a0<\/span>DOI: 10.1016\/j.jelechem.2022.116804<\/span><\/h6>\n

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<\/h6>\n
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.<\/span>Spin polarized STM imaging of nanoscale N\u00e9el skyrmions in an SrIrO3\/SrRuO3 perovskite bilayer <\/span>(2022) Applied Surface Science, 599, art. no. 153766, .\u00a0<\/span>DOI: 10.1016\/j.apsusc.2022.153766<\/span><\/h6>\n

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Van On, V., Guerrero-Sanchez, J., Ponce-P\u00e9rez, R., Vu, T.V., Rivas-Silva, J.F., Cocoletzi, G.H., Hoat, D.M.<\/span>Defective and doped MgO monolayer as promising 2D materials for optoelectronic and spintronic applications (2022) Materials Science in Semiconductor Processing, 149, art. no. 106876, .\u00a0<\/span>DOI: 10.1016\/j.mssp.2022.106876<\/span><\/h6>\n

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Ruvalcaba, R., Corbett, J.P., Guerrero-Sanchez, J. <\/span>Cu atoms induce a new reconstruction in the MnGa(001) surface: An ab-initio study (2022) Applied Surface Science, 597, art. no. 153514, .\u00a0<\/span>DOI: 10.1016\/j.apsusc.2022.153514<\/span><\/h6>\n

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Guti\u00e9rrez-Ojeda, S.J., Ponce-P\u00e9rez, R., Maldonado-Lopez, D., Hoat, D.M., Guerrero-S\u00e1nchez, J., Moreno-Armenta, M.G.<\/span>Strain Effects on the Two-Dimensional Cr2N MXene: An Ab Initio Study (2022) ACS Omega, 7 (38), pp. 33884-33894.\u00a0 <\/span>DOI: 10.1021\/acsomega.2c02751<\/span><\/h6>\n

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Vu, T.V., Nguyen, D.K., Guerrero-Sanchez, J., Rivas-Silva, J.F., Cocoletzi, G.H., Hoat, D.M. <\/span>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.\u00a0 <\/span>DOI: 10.1039\/d2ra02983a<\/span><\/h6>\n

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Van On, V., Ha, C.V., Anh, D.T., Guerrero-Sanchez, J., Hoat, D.M. <\/span>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, .\u00a0 <\/span>DOI: 10.1088\/1361-648X\/ac7a81<\/span><\/h6>\n

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Lien, V.T.K., Van On, V., Guerrero-Sanchez, J., Rivas-Silva, J.F., Cocoletzi, G.H., Hoat, D.M. <\/span>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.\u00a0 <\/span>DOI: 10.1039\/d2nj03118c<\/span><\/h6>\n

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Nguyen, D.K., Guerrero-Sanchez, J., Vu, T.V., Ponce-P\u00e9rez, R., Hoat, D.M. <\/span>Electronic and magnetic properties of the WSO Janus monolayer engineered by intrinsic defects <\/span>(2022) Surfaces and Interfaces, 32, art. no. 102114, .\u00a0 <\/span>DOI: 10.1016\/j.surfin.2022.102114<\/span><\/h6>\n

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Camarillo-Salazar, E., Garcia-Diaz, R., Avila-Alvarado, Y., Guerrero-Sanchez, J., Hern\u00e1ndez Cocoletzi, G., Romero de la Cruz, M.T. <\/span>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, .\u00a0 <\/span>DOI: 10.1016\/j.comptc.2022.113782<\/span><\/h6>\n

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Nguyen, D.K., Bao, T.V., Guerrero-Sanchez, J., Hoat, D.M. <\/span>Modifying electronic and magnetic properties of the \u03b2-Sb monolayer by doping with III-, IV-, and V-group atoms (2022) Physica E: Low-Dimensional Systems and Nanostructures, 142, art. no. 115315, .\u00a0 <\/span>DOI: 10.1016\/j.physe.2022.115315<\/span><\/h6>\n

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Rodriguez-Olguin, M.A., Flox, C., Ponce-P\u00e9rez, R., Lipin, R., Ruiz-Zepeda, F., Winczewski, J.P., Kallio, T., Vandichel, M., Guerrero-S\u00e1nchez, J., Gardeniers, J.G.E., Takeuchi, N., Susarrey-Arce, A. <\/span>Chlorine in NiO promotes electroreduction of CO2 to formate <\/span>(2022) Applied Materials Today, 28, art. no. 101528, .\u00a0 <\/span>DOI: 10.1016\/j.apmt.2022.101528<\/span><\/h6>\n

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L\u00f3pez-Gonz\u00e1lez, L.E., Ponce-P\u00e9rez, R., Takeuchi, N., Tiznado, H., Guerrero-S\u00e1nchez, J. <\/span>Adsorption of sorbitan ester surfactant on copper and Cuprous oxide surfaces: A density functional theory study <\/span>(2022) Applied Surface Science, 589, art. no. 153061, .\u00a0 <\/span>DOI: 10.1016\/j.apsusc.2022.153061<\/span><\/h6>\n

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Soltero, I., Guerrero-S\u00e1nchez, J., Mireles, F., Ruiz-Tijerina, D.A. <\/span>Moir\u00e9 band structures of twisted phosphorene bilayers (2022) Physical Review B, 105 (23), art. no. 235421, .\u00a0 <\/span>DOI: 10.1103\/PhysRevB.105.235421<\/span><\/h6>\n

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Gaona Carranza, A.M., Garcia Diaz, R., Hoat, D.M., Siqueiros, J.M., Guerrero-Sanchez, J. <\/span>Predicting the stability and electronic structure of alkali metal aurides <\/span>(2022) Journal of Physics Condensed Matter, 34 (23), art. no. 235901, .\u00a0 <\/span>DOI: 10.1088\/1361-648X\/ac5d1a<\/span><\/h6>\n

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Van On, V., Guerrero-Sanchez, J., Ponce-P\u00e9rez, R., Hoat, D.M. <\/span>Study of vacancy, voids, atom adsorption and domain substitution in hexagonal gallium nitride monolayer <\/span>(2022) Surfaces and Interfaces, 30, art. no. 101898, .\u00a0 <\/span>DOI: 10.1016\/j.surfin.2022.101898<\/span><\/h6>\n

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On, V.V., Guerrero-Sanchez, J., Hoat, D.M. <\/span>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, .\u00a0 <\/span>DOI: 10.1088\/1361-6463\/ac49b4<\/span><\/h6>\n

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Cuba-Supanta, G., Guerrero-Sanchez, J., Rojas-Tapia, J., Landauro, C.V., Rojas-Ayala, C., Takeuchi, N. <\/span>An atomistic study on the structural and thermodynamic properties of Al\u2013Fe bimetallic nanoparticles during melting and solidification: The role of size and composition (2022) Materials Chemistry and Physics, 282, art. no. 125936, .\u00a0 <\/span>DOI: 10.1016\/j.matchemphys.2022.125936<\/span><\/h6>\n

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Tellez-Mora, A., Fernandez-Escamilla, H.N., Ponce-Perez, R., Takeuchi, N., Guerrero-Sanchez, J. <\/span>Controlling the magnetic alignment at the MnGa\/Co2MnSi interface: A DFT study (2022) Journal of Magnetism and Magnetic Materials, 547, art. no. 168936, .\u00a0 <\/span>DOI: 10.1016\/j.jmmm.2021.168936<\/span><\/h6>\n

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Van On, V., Guerrero-Sanchez, J., Ponce-P\u00e9rez, R., Rivas-Silva, J.F., Cocoletzi, G.H., Hoat, D.M. <\/span>First-principles investigation of the (HfSe2)4\u2212n\u2013(HfSSe)n (n = 0, 1, 2, 3, 4) lateral heterostructures (2022) International Journal of Quantum Chemistry, 122 (6), art. no. e26857, .\u00a0 <\/span>DOI: 10.1002\/qua.26857<\/span><\/h6>\n

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Maldonado-Lopez, D., Rodriguez, J.R., Pol, V.G., Syamsai, R., Andrews, N.G., Guti\u00e9rrez-Ojeda, S.J., Ponce-P\u00e9rez, R., Moreno-Armenta, M.G., Guerrero-S\u00e1nchez, J. <\/span>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.\u00a0 <\/span>DOI: 10.1021\/acsaem.1c03239<\/span><\/h6>\n

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Mario Galicia-Hernandez, J., Guerrero-Sanchez, J., Ponce-Perez, R., Fernandez-Escamilla, H.N., Cocoletzi, G.H., Takeuchi, N. <\/span>Self-energy corrected band-gap tuning induced by strain in the hexagonal boron phosphide monolayer (2022) Computational Materials Science, 203, art. no. 111144, .\u00a0 <\/span>DOI: 10.1016\/j.commatsci.2021.111144<\/span><\/h6>\n

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Van On, V., Guerrero-Sanchez, J., Ponce-P\u00e9rez, R., Rivas-Silva, J.F., Cocoletzi, G.H., Hoat, D.M. <\/span>Ferromagnetic half-metallicity of the cubic NaMgO3perovskite: From bulk to (001) surfaces (2022) Physical Chemistry Chemical Physics, 24 (4), pp. 2209-2218.\u00a0 <\/span>DOI: 10.1039\/d1cp05086a<\/span><\/h6>\n

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Wang, Z., Fern\u00e1ndez-Escamilla, H.N., Guerrero-S\u00e1nchez, J., Takeuchi, N., Zaera, F. <\/span>Adsorption and Reactivity of Chiral Modifiers in Heterogeneous Catalysis: 1-(1-Naphthyl)ethylamine on Pt Surfaces (2022) ACS Catalysis, pp. 10514-10521.\u00a0 <\/span>DOI: 10.1021\/acscatal.2c01627<\/span><\/h6>\n

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Arroyo Escare\u00f1o, A., Paez-Ornelas, J.I., Guerrero-S\u00e1nchez, J., S\u00e1enz-Galindo, A., Garcia-Diaz, R., Gallardo-Vega, C., Ochoa-Valiente, R., Romero de la Cruz, M.T. <\/span>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, .\u00a0 <\/span>DOI: 10.1016\/j.comptc.2021.113504<\/span><\/h6>\n

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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. <\/span>Atomic-scale visualization of topological spin textures in the chiral magnet MnGe (2021) Science, 374 (6574), pp. 1484-1487.\u00a0 <\/span>DOI: 10.1126\/science.abd9225<\/span><\/h6>\n

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Paez-Ornelas, J.I., Ponce-P\u00e9rez, R., Fern\u00e1ndez-Escamilla, H.N., Hoat, D.M., Murillo-Bracamontes, E.A., Moreno-Armenta, M.G., Galv\u00e1n, D.H., Guerrero-S\u00e1nchez, J. <\/span>The effect of shape and size in the stability of triangular Janus MoSSe quantum dots (2021) Scientific Reports, 11 (1), art. no. 21061, .\u00a0 <\/span>DOI: 10.1038\/s41598-021-00287-6<\/span><\/h6>\n

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Ponce-P\u00e9rez, R., Gutierrez-Ojeda, S.J., Guerrero-S\u00e1nchez, J., Moreno-Armenta, M.G. <\/span>A new family of copper-based Mxenes (2021) Scientific Reports, 11 (1), art. no. 12393, .\u00a0 <\/span>DOI: 10.1038\/s41598-021-90628-2<\/span><\/h6>\n

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Van On, V., Nguyen, D.K., Guerrero-Sanchez, J., Hoat, D.M. <\/span>Exploring the electronic band gap of Janus MoSeO and WSeO monolayers and their heterostructures (2021) New Journal of Chemistry, 45 (44), pp. 20776-20786.\u00a0 <\/span>DOI: 10.1039\/d1nj04427c<\/span><\/h6>\n

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Ponce-P\u00e9rez, R., Guerrero-Sanchez, J., Gutierrez-Ojeda, S.J., Moreno-Armenta, M.G. <\/span>Oxygen Coverage Effect on the Magnetic Properties of the Cr2NOx(0 \u2264 x \u2264 2) Mxene (2021) ACS Applied Electronic Materials, 3 (11), pp. 4967-4976.\u00a0 <\/span>DOI: 10.1021\/acsaelm.1c00774<\/span><\/h6>\n

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Guti\u00e9rrez-Ojeda, S.J., Ponce-P\u00e9rez, R., Guerrero-S\u00e1nchez, J., Garc\u00eda-Diaz, R., S\u00e1nchez-Ochoa, F., Guadalupe Moreno Armenta, M., Cocoletzi, G.H. <\/span>Modeling the half-metallicity of the CrN\/GaN (1 1 1) heterostructure (2021) Applied Surface Science, 566, art. no. 150637, .\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 <\/span>DOI: 10.1016\/j.apsusc.2021.150637<\/span><\/h6>\n

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Hoat, D.M., Nguyen, D.K., Guerrero-Sanchez, J., Ponce-P\u00e9rez, R., On, V.V., Rivas-Silva, J.F., Cocoletzi, G.H. <\/span>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, .\u00a0 <\/span>DOI: 10.1016\/j.apsusc.2021.150711<\/span><\/h6>\n

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Nguyen, D.K., Guerrero-Sanchez, J., Van On, V., Rivas-Silva, J.F., Ponce-P\u00e9rez, R., Cocoletzi, G.H., Hoat, D.M. <\/span>Tuning MoSO monolayer properties for optoelectronic and spintronic applications: Effect of external strain, vacancies and doping (2021) RSC Advances, 11 (56), pp. 35614-35623.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 <\/span>DOI: 10.1039\/d1ra05639e<\/span><\/h6>\n

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Chen, B., Ponce, R., Guerrero-S\u00e1nchez, J., Takeuchi, N., Zaera, F. <\/span>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, .\u00a0 <\/span>DOI: 10.1116\/6.0001192<\/span><\/h6>\n

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Hoat, D.M., Nguyen, D.K., Guerrero-Sanchez, J., Ponce-P\u00e9rez, R., Rivas-Silva, J.F., Van On, V., Cocoletzi, G.H. <\/span>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, .\u00a0 \u00a0 <\/span>DOI: 10.1088\/1361-648X\/ac07cd<\/span><\/h6>\n

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Ruvalcaba, R., Corbett, J.P., Mandru, A.-O., Takeuchi, N., Smith, A.R., Guerrero-Sanchez, J. <\/span>Surface structures of magnetostrictive D03-Fe3Ga(0 0 1) (2021) Applied Surface Science, 553, art. no. 149488, .\u00a0 <\/span>DOI: 10.1016\/j.apsusc.2021.149488<\/span><\/h6>\n

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Hoat, D.M., Nguyen, D.K., Ponce-P\u00e9rez, R., Guerrero-Sanchez, J., On, V.V., Rivas-Silva, J.F., Cocoletzi, G.H. <\/span>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, .\u00a0 <\/span>DOI: 10.1016\/j.apsusc.2021.149318<\/span><\/h6>\n

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Paez-Ornelas, J.I., Ponce-Perez, R., Fern\u00e1ndez-Escamilla, H.N., Murillo-Bracamontes, E., Borb\u00f3n-Nu\u00f1ez, H.A., Corbett, J.P., Moreno Armenta, M.G., Guerrero-S\u00e1nchez, J. <\/span>Understanding the Role of Oxygen Vacancies in the Stability of ZnO(0001)-(1 \u00d7 3) Surface Reconstructions (2021) Journal of Physical Chemistry C, 125 (14), pp. 7980-7989.\u00a0 <\/span>DOI: 10.1021\/acs.jpcc.1c01097<\/span><\/h6>\n

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Galicia Hernandez, J.M., Sanchez, J.G., Fernandez Escamilla, H.N., Cocoletzi, G.H., Takeuchi, N. <\/span>First-principles studies of the strain-induced band-gap tuning in black phosphorene (2021) Journal of Physics Condensed Matter, 33 (17), art. no. 175502, .\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 <\/span>DOI: 10.1088\/1361-648X\/abdd62<\/span><\/h6>\n

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Maldonado-Lopez, D., Takeuchi, N., Guerrero-Sanchez, J. <\/span>Understanding the Noncollinear Antiferromagnetic IrMn3Surfaces and Their Exchange-Biased Heterostructures from First-Principles (2021) ACS Applied Electronic Materials, 3 (3), pp. 1086-1096.\u00a0 <\/span>DOI: 10.1021\/acsaelm.0c00922<\/span><\/h6>\n

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Nayakasinghe, M.T., Guerrero-S\u00e1nchez, J., Takeuchi, N., Zaera, F. <\/span>Adsorption of crotonaldehyde on metal surfaces: Cu vs Pt (2021) Journal of Chemical Physics, 154 (10), art. no. 104701, .\u00a0 <\/span>DOI: 10.1063\/5.0040776<\/span><\/h6>\n

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Paez-Ornelas, J.I., Fern\u00e1ndez-Escamilla, H.N., Borb\u00f3n-Nu\u00f1ez, H.A., Tiznado, H., Takeuchi, N., Guerrero-S\u00e1nchez, J. <\/span>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.\u00a0 <\/span>DOI: 10.1039\/d0cp05283c<\/span><\/h6>\n

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Munive Hern\u00e1ndez, O., Guerrero-S\u00e1nchez, J., Ponce-P\u00e9rez, R., Garc\u00eda D\u00edaz, R., Fernandez-Escamilla, H.N., Cocoletzi, G.H. <\/span>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, .\u00a0 <\/span>DOI: 10.1016\/j.apsusc.2020.148163<\/span><\/h6>\n

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Ant\u00fanez-Garc\u00eda, J., Galv\u00e1n, D.H., Guerrero-S\u00e1nchez, J., Murrieta-Rico, F.N., Yocupicio-Gaxiola, R.I., Fuentes-Moyado, S. <\/span>Analytical solution to Scholte’s secular equation for isotropic elastic media (2021) Revista Mexicana de Fisica, 67 (1), pp. 54-61.\u00a0 <\/span>DOI: 10.31349\/RevMexFis.67.54<\/span><\/h6>\n

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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. <\/span>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, .\u00a0 <\/span>DOI: 10.1002\/aenm.202002459<\/span><\/h6>\n

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Srinet, G., Sharma, S., Guerrero-Sanchez, J., Garcia-Diaz, R., Ponce-Perez, R., Siqueiros, J.M., Raymond Herrera, O. <\/span>Room-temperature ferromagnetism on ZnO nanoparticles doped with Cr: An experimental and theoretical analysis (2020) Journal of Alloys and Compounds, 849, art. no. 156587, .\u00a0 <\/span>DOI: 10.1016\/j.jallcom.2020.156587<\/span><\/h6>\n

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Guti\u00e9rrez-Ojeda, S.J., de Oliveira, R.C., Fern\u00e1ndez-Escamilla, H.N., Ponce-P\u00e9rez, R., Guerrero-S\u00e1nchez, J., Mosca, D.H., Cocoletzi, G.H., Varalda, J. <\/span>Mn5Ge3 ultra-thin films on GaAs (111)B substrates: Influence of initial growth conditions (2020) Superlattices and Microstructures, 148, art. no. 106745, .\u00a0 <\/span>DOI: 10.1016\/j.spmi.2020.106745<\/span><\/h6>\n

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Paez-Ornelas, J.I., Fern\u00e1ndez-Escamilla, H.N., Takeuchi, N., Guerrero-S\u00e1nchez, J. <\/span>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, .\u00a0 <\/span>DOI: 10.1016\/j.mtcomm.2020.101461<\/span><\/h6>\n

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Palos, E., Reyes-Serrato, A., Alonso-Nunez, G., S\u00e1nchez, J.G. <\/span>Modeling the ternary chalcogenide Na2MoSe4from first-principles (2020) Journal of Physics Condensed Matter, 33 (2), art. no. 025501, .\u00a0 <\/span>DOI: 10.1088\/1361-648X\/abaf91<\/span><\/h6>\n

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Moreno-Armenta, M.G., Corbett, J.P., Ponce-Perez, R., Guerrero-Sanchez, J. <\/span>A DFT study on the austenitic Ni2MnGa (001) surfaces (2020) Journal of Alloys and Compounds, 836, art. no. 155447, .\u00a0 <\/span>DOI: 10.1016\/j.jallcom.2020.155447<\/span><\/h6>\n

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Cuba-Supanta, G., Fern\u00e1ndez-Escamilla, H.N., Guerrero-Sanchez, J., Rojas-Tapia, J., Takeuchi, N. <\/span>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.\u00a0 \u00a0<\/span>DOI: 10.1039\/d0nr03815f<\/span><\/h6>\n

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Quijano-Briones, J.J., Fern\u00e1ndez-Escamilla, H.N., Guerrero-S\u00e1nchez, J., Mart\u00ednez-Guerra, E., Takeuchi, N. <\/span>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, .\u00a0 <\/span>DOI: 10.1088\/1361-6463\/ab899b<\/span><\/h6>\n

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Guerrero-S\u00e1nchez, J., Borbon-Nunez, H.A., Tiznado, H., Takeuchi, N. <\/span>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.\u00a0 <\/span>DOI: 10.1039\/d0cp00817f<\/span><\/h6>\n

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Takeuchi, N., Ventura-Macias, E., Guerrero-S\u00e1nchez, J., Zaera, F. <\/span>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.\u00a0 <\/span>DOI: 10.1021\/acs.jpcc.0c04521<\/span><\/h6>\n

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Guerrero-S\u00e1nchez, J., Chen, B., Takeuchi, N., Zaera, F. <\/span>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.\u00a0 <\/span>DOI: 10.1557\/jmr.2019.293<\/span><\/h6>\n

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Ponce-P\u00e9rez, R., Romero de la Cruz, M.T., Guerrero-S\u00e1nchez, J., Alvarado, Y.E.\u00c1., Hoat, D.M., Moreno-Armenta, M.G., Cocoletzi, G.H. <\/span>Half-metal effect on the MnAs\/InP (0 0 1)-(2 \u00d7 4) interface (2020) Computational Materials Science, 175, art. no. 109603, .\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0<\/span>DOI: 10.1016\/j.commatsci.2020.109603<\/span><\/h6>\n

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Alvarado-Leal, L.A., Fernandez-Escamilla, H.N., Guerrero-S\u00e1nchez, J., Mart\u00ednez-Guerra, E., Takeuchi, N. <\/span>Formaldehyde adsorption on a hydrogenated gallium nitride monolayer: A density functional theory study (2020) Applied Surface Science, 506, art. no. 144944, .\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0<\/span>DOI: 10.1016\/j.apsusc.2019.144944<\/span><\/h6>\n

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Cao, Y., Guerrero-Sa\u0144chez, J., Lee, I., Zhou, X., Takeuchi, N., Zaera, F. <\/span>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.\u00a0 <\/span>DOI: 10.1021\/acscatal.9b05407<\/span><\/h6>\n

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Noguer\u00f3n, A., Fern\u00e1ndez-Escamilla, H.N., Guerrero-S\u00e1nchez, J., Takeuchi, N. <\/span>Structural, electronic, and magnetic properties of the CoGa (0\u202f0\u202f1) surface and the L10 MnGa\/CoGa interface: A density functional theory study (2020) Applied Surface Science, 504, art. no. 144332, .\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 <\/span>DOI: 10.1016\/j.apsusc.2019.144332<\/span><\/h6>\n

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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. <\/span>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.\u00a0 <\/span>DOI: 10.1021\/acsami.9b19724<\/span><\/h6>\n

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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. <\/span>Ge2Sb2Se5 Glass as High-capacity Promising Lithium-ion Battery Anode (2020) Nano Energy, 68, art. no. 104326, .\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0<\/span>DOI: 10.1016\/j.nanoen.2019.104326<\/span><\/h6>\n

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Camarillo-Salazar, E., Garcia-Diaz, R., Avila-Alvarado, Y., Guerrero-Sanchez, J., Romero de la Cruz, M.T., Hern\u00e1ndez Cocoletzi, G. <\/span>Ab initio study of the adsorption and dissociation of NO2 on pristine and Cu decorated ZnO(0001)-3\u202f\u00d7\u202f3 (2020) Applied Surface Science, 500, art. no. 144031, .\u00a0 \u00a0 \u00a0<\/span>DOI: 10.1016\/j.apsusc.2019.144031<\/span><\/h6>\n

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Fern\u00e1ndez-Escamilla, H.N., Guerrero-S\u00e1nchez, J., Mart\u00ednez-Guerra, E., Takeuchi, N. <\/span>Adsorption and dissociation of NO2 on silicene (2019) Applied Surface Science, 498, art. no. 143854, .\u00a0 <\/span>DOI: 10.1016\/j.apsusc.2019.143854<\/span><\/h6>\n

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Herrera-Rodr\u00edguez, F., Mart\u00ednez-Aguilar, E., Guerrero-S\u00e1nchez, J., Rodr\u00edguez, J.A., Moreno-Armenta, M.G. <\/span>Oxygen adsorption on Graphene\/GaN (0001) surface: A first-principles study (2019) Surface Science, 690, art. no. 121481, .\u00a0 <\/span>DOI: 10.1016\/j.susc.2019.121481<\/span><\/h6>\n

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Fern\u00e1ndez-Escamilla, H.N., Quijano-Briones, J.J., Guerrero-S\u00e1nchez, J., Mart\u00ednez-Guerra, E., Takeuchi, N. <\/span>Puckered arsenene single-walled nanotubes: Stability, geometry, and electronic properties (2019) Computational Materials Science, 169, art. no. 109108, .\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0<\/span>DOI: 10.1016\/j.commatsci.2019.109108<\/span><\/h6>\n

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Gutierrez-Ojeda, S.J., Guerrero-Sanchez, J., Ponce-Perez, R., Varalda, J., Mosca, D.H., L., M.D.L.G., Gregorio, H.C. <\/span>Manganese<\/span>\u2011<\/span>germanium nanostructure formation on the GaAs(111)\u2013(1\u202f\u00d7\u202f1)A surface: Stability and magnetic properties (2019) Applied Surface Science, 491, pp. 147-153.\u00a0 <\/span>DOI: 10.1016\/j.apsusc.2019.06.021<\/span><\/h6>\n

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Cao, Y., Chen, B., Guerrero-S\u00e1nchez, J., Lee, I., Zhou, X., Takeuchi, N., Zaera, F. <\/span>Controlling Selectivity in Unsaturated Aldehyde Hydrogenation Using Single-Site Alloy Catalysts (2019) ACS Catalysis, 9 (10), pp. 9150-9157.\u00a0 <\/span>DOI: 10.1021\/acscatal.9b02547<\/span><\/h6>\n

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Ponce-P\u00e9rez, R., de la Cruz, M.T.R., Guti\u00e9rrez-Ojeda, S.J., Guerrero-S\u00e1nchez, J., Varalda, J., Cocoletzi, G.H. <\/span>Initial stages of the epitaxial growth of MnN on the GaAs (001)-(2\u202f\u00d7\u202f2) surface: First-principle study (2019) Applied Surface Science, 489, pp. 639-647.\u00a0 <\/span>DOI: 10.1016\/j.apsusc.2019.06.047<\/span><\/h6>\n

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Garcia-Diaz, R., Romero de la Cruz, M.T., Ochoa Valiente, R., Guerrero-Sanchez, J., Hern\u00e1ndez Cocoletzi, G. <\/span>DFT study for OH radical formation on SrTiO3(001) surface and the effect of Bi (2019) Applied Surface Science, 487, pp. 1394-1402.\u00a0 <\/span>DOI: 10.1016\/j.apsusc.2019.05.134<\/span><\/h6>\n

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Ventura-Macias, E., Guerrero-S\u00e1nchez, J., Corbett, J.P., Smith, A.R., Takeuchi, N. <\/span>Nitrogen-induced reconstructions on the Cr(001) surface (2019) Applied Surface Science, 484, pp. 578-586.\u00a0 <\/span>DOI: 10.1016\/j.apsusc.2019.04.126<\/span><\/h6>\n

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Cuba-Supanta, G., Guerrero-S\u00e1nchez, J., Rojas-Tapia, J., Landauro, C.V., Takeuchi, N. <\/span>Formaldehyde trapping by radical initiated reaction on hydrogenated boron nitride (2019) Applied Surface Science, 484, pp. 470-478.\u00a0 <\/span>DOI: 10.1016\/j.apsusc.2019.04.001<\/span><\/h6>\n

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Noguer\u00f3n, A., Fern\u00e1ndez-Escamilla, H.N., Guerrero-S\u00e1nchez, J., Takeuchi, N. <\/span>Formaldehyde adsorption on a hydrogenated aluminum nitride monolayer: A self-propagated reaction (2019) Computational and Theoretical Chemistry, 1159, pp. 18-22.\u00a0<\/span>DOI: 10.1016\/j.comptc.2019.05.004<\/span><\/h6>\n

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Guerrero-S\u00e1nchez, J., Munoz-Pizza, D.M., Takeuchi, N. <\/span>Silicene as an efficient way to fully inactivate the SO 2 pollutant (2019) Applied Surface Science, 479, pp. 847-851.\u00a0 <\/span>DOI: 10.1016\/j.apsusc.2019.02.078<\/span><\/h6>\n

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Zarmiento-Garc\u00eda, R., Guerrero-S\u00e1nchez, J., Takeuchi, N. <\/span>Functionalization of silicene and silicane with benzaldehyde (2019) Journal of Molecular Modeling, 25 (5), art. no. 109, .\u00a0 <\/span>DOI: 10.1007\/s00894-019-3997-4<\/span><\/h6>\n

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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. <\/span>Dislocation structures, interfacing, and magnetism in the L10-MnGa on \u03b7 <\/span>\u22a5<\/span>-Mn3N2 bilayer (2019) Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films, 37 (3), art. no. 031102, .\u00a0 <\/span>DOI: 10.1116\/1.5081960<\/span><\/h6>\n

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Yao, Y., Guerrero-S\u00e1nchez, J., Takeuchi, N., Zaera, F. <\/span>Coadsorption of Formic Acid and Hydrazine on Cu(110) Single-Crystal Surfaces (2019) Journal of Physical Chemistry C, 123 (13), pp. 7584-7593.\u00a0 <\/span>DOI: 10.1021\/acs.jpcc.8b01804<\/span><\/h6>\n

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Fern\u00e1ndez-Escamilla, H.N., Guerrero-S\u00e1nchez, J., Mart\u00ednez-Guerra, E., Takeuchi, N. <\/span>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.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0<\/span>DOI: 10.1021\/acs.jpcc.9b00346<\/span><\/h6>\n

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Guerrero-S\u00e1nchez, J., Takeuchi, N., Zaera, F. <\/span>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.\u00a0 <\/span>DOI: 10.1021\/acs.jpcc.8b12131<\/span><\/h6>\n

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Garcia-Diaz, R., Guerrero-S\u00e1nchez, J., Fern\u00e1ndez-Escamilla, H.N., Takeuchi, N. <\/span>DFT study of the dimethyl sulfoxide reduction on silicene (2019) Applied Surface Science, 467-468, pp. 261-267.\u00a0 <\/span>DOI: 10.1016\/j.apsusc.2018.10.114<\/span><\/h6>\n

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Contreras, E., Dominguez, D., Tiznado, H., Guerrero-Sanchez, J., Takeuchi, N., Alonso-Nunez, G., Contreras, O.E., Oropeza-Guzm\u00e1n, M.T., Romo-Herrera, J.M. <\/span>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.\u00a0 <\/span>DOI: 10.1039\/c8nr08384c<\/span><\/h6>\n

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Fern\u00e1ndez-Escamilla, H.N., Guerrero-S\u00e1nchez, J., Garcia-Diaz, R., Mart\u00ednez-Guerra, E., Takeuchi, N. <\/span>Adsorption of dimethyl sulfoxide on blue phosphorene (2019) Surface Science, 680, pp. 88-94.\u00a0 <\/span>DOI: 10.1016\/j.susc.2018.10.019<\/span><\/h6>\n

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Quijano-Briones, J.J., Fern\u00e1ndez-Escamilla, H.N., Guerrero-S\u00e1nchez, J., Mart\u00ednez-Guerra, E., Takeuchi, N. <\/span>Structural transition induced by compression and stretching of puckered arsenene nanotubes (2019) Physical Chemistry Chemical Physics, 21 (40), pp. 22467-22474.\u00a0 <\/span>DOI: 10.1039\/c9cp05000k<\/span><\/h6>\n

[\/vc_column_text]<\/div><\/div>\n\n\t\t\t<\/div>[\/vc_tta_section][vc_tta_section title=”Premios y reconocimientos” tab_id=”1729282888448-62c033a9-375e”][vc_column_text]<\/p>\n

Sistema Nacional de Investigadores:\u00a0<\/span><\/h6>\n
<\/h6>\n
Nivel 2, (enero 2024-diciembre 2028)<\/span><\/h6>\n
Nivel 1, periodos (enero 2017-diciembre 2019), (enero 2020-diciembre 2023).<\/span><\/h6>\n
<\/h6>\n
2019 Article chosen as journal cover page Applied Surface Science. Reyes Garcia-Diaz*, J. Guerrero-S\u00e1nchez, H\u00e9ctor No\u00e9 Fern\u00e1ndez-Escamilla, Noboru Takeuchi, DFT study of the dimethyl sulfoxide reduction on silicene, Applied Surface Science 67\u2013468 (2019) 261\u2013267. Impact factor: 5.155.<\/span><\/h6>\n

[\/vc_column_text][\/vc_tta_section][\/vc_tta_tabs][\/vc_column][\/vc_row]<\/p>\n<\/div>","protected":false},"excerpt":{"rendered":"

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