Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite cluster
The electronic and optical properties of a composite created by introducing a magnetite cluster into NaA zeolite have been investigated in this work using DFT calculations. The results obtained indicate that the electronic and optical properties of the composite are enhanced because of the cluster....
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| Format: | Article |
| Language: | English |
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Beilstein-Institut
2025-01-01
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| Series: | Beilstein Journal of Nanotechnology |
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| Online Access: | https://doi.org/10.3762/bjnano.16.5 |
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| author | Joel Antúnez-García Roberto Núñez-González Vitalii Petranovskii H’Linh Hmok Armando Reyes-Serrato Fabian N. Murrieta-Rico Mufei Xiao Jonathan Zamora |
| author_facet | Joel Antúnez-García Roberto Núñez-González Vitalii Petranovskii H’Linh Hmok Armando Reyes-Serrato Fabian N. Murrieta-Rico Mufei Xiao Jonathan Zamora |
| author_sort | Joel Antúnez-García |
| collection | DOAJ |
| description | The electronic and optical properties of a composite created by introducing a magnetite cluster into NaA zeolite have been investigated in this work using DFT calculations. The results obtained indicate that the electronic and optical properties of the composite are enhanced because of the cluster. However, the properties exhibited by the cluster outside the zeolite differ from those it presents when it is part of the composite. It is noteworthy that the composite exhibits magnetic properties of a half-semiconductor and a strong optical response within the visible and ultraviolet regions of the spectrum. |
| format | Article |
| id | doaj-art-15e3a0f3eeb44b9b9bdd8ae46c4be311 |
| institution | Kabale University |
| issn | 2190-4286 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Beilstein-Institut |
| record_format | Article |
| series | Beilstein Journal of Nanotechnology |
| spelling | doaj-art-15e3a0f3eeb44b9b9bdd8ae46c4be3112025-02-03T09:10:12ZengBeilstein-InstitutBeilstein Journal of Nanotechnology2190-42862025-01-01161445310.3762/bjnano.16.52190-4286-16-5Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite clusterJoel Antúnez-García0Roberto Núñez-González1Vitalii Petranovskii2H’Linh Hmok3Armando Reyes-Serrato4Fabian N. Murrieta-Rico5Mufei Xiao6Jonathan Zamora7Facultad de Ciencias, Universidad Autónoma de Baja California, Carretera Transp. Ensenada-Tijuana, Fracc. Playitas No. 3917, Ensenada, B. C. 22860, México Departamento de Matemáticas, Universidad de Sonora, Blvd. Luis Encinas y Rosales s/n, 83000, Hermosillo, Sonora, México Universidad Nacional Autónoma de México, Centro de Nanociencias y Nanotecnología, 22800 Ensenada, B. C., México Simulation in Materials Science Research Group, Science and Technology Advanced Institute, Van Lang University, Ho Chi Minh City, Vietnam Universidad Nacional Autónoma de México, Centro de Nanociencias y Nanotecnología, 22800 Ensenada, B. C., México Universidad Politécnica de Baja California, Ingeniería Mecatrónica, Mexicali, Baja California 21376, México Universidad Nacional Autónoma de México, Centro de Nanociencias y Nanotecnología, 22800 Ensenada, B. C., México Instituto Potosino de Investigación Científica y Tecnológica A.C., Camino a la Presa San José 2055, Col. Lomas 4, San Luis Potosí, S.L.P. 78216, México The electronic and optical properties of a composite created by introducing a magnetite cluster into NaA zeolite have been investigated in this work using DFT calculations. The results obtained indicate that the electronic and optical properties of the composite are enhanced because of the cluster. However, the properties exhibited by the cluster outside the zeolite differ from those it presents when it is part of the composite. It is noteworthy that the composite exhibits magnetic properties of a half-semiconductor and a strong optical response within the visible and ultraviolet regions of the spectrum.https://doi.org/10.3762/bjnano.16.5magnetic clusternaa zeoliteoptical properties |
| spellingShingle | Joel Antúnez-García Roberto Núñez-González Vitalii Petranovskii H’Linh Hmok Armando Reyes-Serrato Fabian N. Murrieta-Rico Mufei Xiao Jonathan Zamora Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite cluster Beilstein Journal of Nanotechnology magnetic cluster naa zeolite optical properties |
| title | Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite cluster |
| title_full | Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite cluster |
| title_fullStr | Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite cluster |
| title_full_unstemmed | Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite cluster |
| title_short | Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite cluster |
| title_sort | theoretical study of the electronic and optical properties of a composite formed by the zeolite naa and a magnetite cluster |
| topic | magnetic cluster naa zeolite optical properties |
| url | https://doi.org/10.3762/bjnano.16.5 |
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