Transition metal (Ti, Cu, Zn, Pt) single-atom modified graphene/AS2 (A = Mo, W) van der Waals heterostructures for removing airborne pollutants
Camarillo-Salazar, Erika, Garcia-Diaz, Reyes, María Teresa Romero de la Cruz, Avila-Alvarado, Yuliana, Fernandez-Escamilla, H N, Gregorio Hernández Cocoletzi, Guerrero-Sanchez, J
Published in Physical chemistry chemical physics : PCCP (13.12.2023)
Published in Physical chemistry chemical physics : PCCP (13.12.2023)
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Journal Article
Initial stages of the epitaxial growth of AlN on GaN (1 1 1)-(2 × 2) surface: Ab-initio studies
Moreno, J.C., Camacho-Garcia, J.H., Ponce-Pérez, R., Sánchez-Ochoa, F., Romero de la Cruz, María Teresa, Cocoletzi, Gregorio H.
Published in Journal of crystal growth (01.02.2019)
Published in Journal of crystal growth (01.02.2019)
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Journal Article
Efficient NO2 removal induced by transition-metal doped and co-doped graphene: An ab-initio study
Camarillo-Salazar, Erika, Garcia-Diaz, Reyes, Avila-Alvarado, Yuliana, Guerrero-Sanchez, J., Hernández Cocoletzi, Gregorio, Romero de la Cruz, María Teresa
Published in Computational and theoretical chemistry (01.08.2022)
Published in Computational and theoretical chemistry (01.08.2022)
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Journal Article
Ab initio study of the adsorption and dissociation of NO2 on pristine and Cu decorated ZnO(0001)-3 × 3
Camarillo-Salazar, Erika, Garcia-Diaz, Reyes, Avila-Alvarado, Yuliana, Guerrero-Sanchez, J., Romero de la Cruz, María Teresa, Hernández Cocoletzi, Gregorio
Published in Applied surface science (15.01.2020)
Published in Applied surface science (15.01.2020)
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Journal Article
Studies of hydrogen sulfide and ammonia adsorption on P- and Si-doped graphene: density functional theory calculations
Comparán Padilla, Víctor Eduardo, Romero de la Cruz, María Teresa, Ávila Alvarado, Yuliana Elizabeth, García Díaz, Reyes, Rodríguez García, Carlos Eduardo, Hernández Cocoletzi, Gregorio
Published in Journal of molecular modeling (01.04.2019)
Published in Journal of molecular modeling (01.04.2019)
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Journal Article
Ab initio study of the adsorption of SO2 on single-atom Cu-decorated ZnO(0001) surface
Camarillo-Salazar, Erika, Garcia-Diaz, Reyes, Romero de la Cruz, María Teresa, Avila-Alvarado, Yuliana, Fernandez-Escamilla, H. N., Guerrero-Sanchez, J., Hernández Cocoletzi, Gregorio
Published in Journal of molecular modeling (01.03.2023)
Published in Journal of molecular modeling (01.03.2023)
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Journal Article
Adsorption of acetic acid and benzoic acid on pristine and defect containing graphene: A DFT study
Arroyo Escareño, A., Paez-Ornelas, J.I., Guerrero-Sánchez, J., Sáenz-Galindo, Aidé, Garcia-Diaz, Reyes, Gallardo-Vega, Carlos, Ochoa-Valiente, Raul, Romero de la Cruz, María Teresa
Published in Computational and theoretical chemistry (01.01.2022)
Published in Computational and theoretical chemistry (01.01.2022)
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Journal Article
Half-metal effect on the MnAs/InP (0 0 1)-(2 × 4) interface
Ponce-Pérez, R., Romero de la Cruz, María Teresa, Guerrero-Sánchez, J., Alvarado, Yuliana Elizabeth Ávila, Hoat, D.M., Moreno-Armenta, María G., Cocoletzi, Gregorio H.
Published in Computational materials science (01.04.2020)
Published in Computational materials science (01.04.2020)
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Journal Article
Transition metal (Ti, Cu, Zn, Pt) single-atom modified graphene/AS (A = Mo, W) van der Waals heterostructures for removing airborne pollutants
Camarillo-Salazar, Erika, Garcia-Diaz, Reyes, Romero de la Cruz, María Teresa, Avila-Alvarado, Yuliana, Fernandez-Escamilla, H. N, Hernández Cocoletzi, Gregorio, Guerrero-Sanchez, J
Published in Physical chemistry chemical physics : PCCP (13.12.2023)
Published in Physical chemistry chemical physics : PCCP (13.12.2023)
Get full text
Journal Article
Transition metal (Ti, Cu, Zn, Pt) single-atom modified graphene/AS 2 (A = Mo, W) van der Waals heterostructures for removing airborne pollutants
Camarillo-Salazar, Erika, Garcia-Diaz, Reyes, Romero de la Cruz, María Teresa, Avila-Alvarado, Yuliana, Fernandez-Escamilla, H N, Hernández Cocoletzi, Gregorio, Guerrero-Sanchez, J
Published in Physical chemistry chemical physics : PCCP (13.12.2023)
Published in Physical chemistry chemical physics : PCCP (13.12.2023)
Get full text
Journal Article
Ab initio study of the adsorption of SO 2 on single-atom Cu-decorated ZnO(0001) surface
Camarillo-Salazar, Erika, Garcia-Diaz, Reyes, Romero de la Cruz, María Teresa, Avila-Alvarado, Yuliana, Fernandez-Escamilla, H N, Guerrero-Sanchez, J, Hernández Cocoletzi, Gregorio
Published in Journal of molecular modeling (20.02.2023)
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Published in Journal of molecular modeling (20.02.2023)
Journal Article