Simulation of the Physicochemical Properties of Anatase TiO2 with Oxygen Vacancies and Doping of Different Elements for Photocatalysis Processes

Heraclio Heredia-Ureta; Ana E. Torres; Edilso F. Reguera; Carlos I. Aguirre-Vélez

doi:10.1007/978-3-030-96147-3_19

Simulation of the Physicochemical Properties of Anatase TiO₂ with Oxygen Vacancies and Doping of Different Elements for Photocatalysis Processes

Heraclio Heredia-Ureta, Ana E. Torres, Edilso F. Reguera, Carlos I. Aguirre-Vélez

Producción científica: Capítulo del libro/informe/acta de congreso › Contribución a la conferencia › revisión exhaustiva

Resumen

The photocatalytic activity of titanium dioxide in visible range is a great target in material science. In order to promote visible solar radiation absorption by this semiconductor, its structure needs to be modified. A theoretical study of TiO₂ anatase phase (TiO₂-a) has been studied under some modifications: oxygen vacancies (TiO₂-OV); oxygen vacancies mediated by atomic hydrogen (TiO₂-H); nitrogen doped (TiO₂-N); sulfur doped (TiO₂-S) and; fluorine doped (TiO₂-F). The results of band structures, density of states, band gap, conductivity and optical properties are analyzed for those different conditions.

Idioma original	Inglés
Título de la publicación alojada	Trends in Artificial Intelligence and Computer Engineering - Proceedings of ICAETT 2021
Editores	Miguel Botto-Tobar, Omar S. Gómez, Raul Rosero Miranda, Angela Díaz Cadena, Sergio Montes León, Washington Luna-Encalada
Editorial	Springer Science and Business Media Deutschland GmbH
Páginas	238-249
Número de páginas	12
ISBN (versión impresa)	9783030961466
DOI	https://doi.org/10.1007/978-3-030-96147-3_19
Estado	Publicada - 2022
Publicado de forma externa	Sí
Evento	3rd International Conference on Advances in Emerging Trends and Technologies, ICAETT 2021 - Riobamba, Ecuador Duración: 10 nov. 2021 → 12 nov. 2021

Serie de la publicación

Nombre	Lecture Notes in Networks and Systems
Volumen	407 LNNS
ISSN (versión impresa)	2367-3370
ISSN (versión digital)	2367-3389

Conferencia

Conferencia	3rd International Conference on Advances in Emerging Trends and Technologies, ICAETT 2021
País/Territorio	Ecuador
Ciudad	Riobamba
Período	10/11/21 → 12/11/21

Acceder al documento

10.1007/978-3-030-96147-3_19

Otros archivos y enlaces

Enlace a la publicación en Scopus

Citar esto

Heredia-Ureta, H., Torres, A. E., Reguera, E. F., & Aguirre-Vélez, C. I. (2022). Simulation of the Physicochemical Properties of Anatase TiO₂ with Oxygen Vacancies and Doping of Different Elements for Photocatalysis Processes. En M. Botto-Tobar, O. S. Gómez, R. Rosero Miranda, A. Díaz Cadena, S. Montes León, & W. Luna-Encalada (Eds.), Trends in Artificial Intelligence and Computer Engineering - Proceedings of ICAETT 2021 (pp. 238-249). (Lecture Notes in Networks and Systems; Vol. 407 LNNS). Springer Science and Business Media Deutschland GmbH. https://doi.org/10.1007/978-3-030-96147-3_19

Heredia-Ureta, Heraclio ; Torres, Ana E. ; Reguera, Edilso F. et al. / Simulation of the Physicochemical Properties of Anatase TiO₂ with Oxygen Vacancies and Doping of Different Elements for Photocatalysis Processes. Trends in Artificial Intelligence and Computer Engineering - Proceedings of ICAETT 2021. editor / Miguel Botto-Tobar ; Omar S. Gómez ; Raul Rosero Miranda ; Angela Díaz Cadena ; Sergio Montes León ; Washington Luna-Encalada. Springer Science and Business Media Deutschland GmbH, 2022. pp. 238-249 (Lecture Notes in Networks and Systems).

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abstract = "The photocatalytic activity of titanium dioxide in visible range is a great target in material science. In order to promote visible solar radiation absorption by this semiconductor, its structure needs to be modified. A theoretical study of TiO2 anatase phase (TiO2-a) has been studied under some modifications: oxygen vacancies (TiO2-OV); oxygen vacancies mediated by atomic hydrogen (TiO2-H); nitrogen doped (TiO2-N); sulfur doped (TiO2-S) and; fluorine doped (TiO2-F). The results of band structures, density of states, band gap, conductivity and optical properties are analyzed for those different conditions.",

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note = "Publisher Copyright: {\textcopyright} 2022, The Author(s), under exclusive license to Springer Nature Switzerland AG.; 3rd International Conference on Advances in Emerging Trends and Technologies, ICAETT 2021 ; Conference date: 10-11-2021 Through 12-11-2021",

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Heredia-Ureta, H, Torres, AE, Reguera, EF & Aguirre-Vélez, CI 2022, Simulation of the Physicochemical Properties of Anatase TiO₂ with Oxygen Vacancies and Doping of Different Elements for Photocatalysis Processes. En M Botto-Tobar, O S. Gómez, R Rosero Miranda, A Díaz Cadena, S Montes León & W Luna-Encalada (eds.), Trends in Artificial Intelligence and Computer Engineering - Proceedings of ICAETT 2021. Lecture Notes in Networks and Systems, vol. 407 LNNS, Springer Science and Business Media Deutschland GmbH, pp. 238-249, 3rd International Conference on Advances in Emerging Trends and Technologies, ICAETT 2021, Riobamba, Ecuador, 10/11/21. https://doi.org/10.1007/978-3-030-96147-3_19

Simulation of the Physicochemical Properties of Anatase TiO₂ with Oxygen Vacancies and Doping of Different Elements for Photocatalysis Processes. / Heredia-Ureta, Heraclio; Torres, Ana E.; Reguera, Edilso F. et al.
Trends in Artificial Intelligence and Computer Engineering - Proceedings of ICAETT 2021. ed. / Miguel Botto-Tobar; Omar S. Gómez; Raul Rosero Miranda; Angela Díaz Cadena; Sergio Montes León; Washington Luna-Encalada. Springer Science and Business Media Deutschland GmbH, 2022. p. 238-249 (Lecture Notes in Networks and Systems; Vol. 407 LNNS).

Producción científica: Capítulo del libro/informe/acta de congreso › Contribución a la conferencia › revisión exhaustiva

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AU - Aguirre-Vélez, Carlos I.

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Y1 - 2022

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Heredia-Ureta H, Torres AE, Reguera EF, Aguirre-Vélez CI. Simulation of the Physicochemical Properties of Anatase TiO₂ with Oxygen Vacancies and Doping of Different Elements for Photocatalysis Processes. En Botto-Tobar M, S. Gómez O, Rosero Miranda R, Díaz Cadena A, Montes León S, Luna-Encalada W, editores, Trends in Artificial Intelligence and Computer Engineering - Proceedings of ICAETT 2021. Springer Science and Business Media Deutschland GmbH. 2022. p. 238-249. (Lecture Notes in Networks and Systems). doi: 10.1007/978-3-030-96147-3_19