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....

Full description

Saved in:
Bibliographic Details
Main Authors: Joel Antúnez-García, Roberto Núñez-González, Vitalii Petranovskii, H’Linh Hmok, Armando Reyes-Serrato, Fabian N. Murrieta-Rico, Mufei Xiao, Jonathan Zamora
Format: Article
Language:English
Published: Beilstein-Institut 2025-01-01
Series:Beilstein Journal of Nanotechnology
Subjects:
Online Access:https://doi.org/10.3762/bjnano.16.5
Tags: Add Tag
No Tags, Be the first to tag this record!
_version_ 1832544804292001792
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
work_keys_str_mv AT joelantunezgarcia theoreticalstudyoftheelectronicandopticalpropertiesofacompositeformedbythezeolitenaaandamagnetitecluster
AT robertonunezgonzalez theoreticalstudyoftheelectronicandopticalpropertiesofacompositeformedbythezeolitenaaandamagnetitecluster
AT vitaliipetranovskii theoreticalstudyoftheelectronicandopticalpropertiesofacompositeformedbythezeolitenaaandamagnetitecluster
AT hlinhhmok theoreticalstudyoftheelectronicandopticalpropertiesofacompositeformedbythezeolitenaaandamagnetitecluster
AT armandoreyesserrato theoreticalstudyoftheelectronicandopticalpropertiesofacompositeformedbythezeolitenaaandamagnetitecluster
AT fabiannmurrietarico theoreticalstudyoftheelectronicandopticalpropertiesofacompositeformedbythezeolitenaaandamagnetitecluster
AT mufeixiao theoreticalstudyoftheelectronicandopticalpropertiesofacompositeformedbythezeolitenaaandamagnetitecluster
AT jonathanzamora theoreticalstudyoftheelectronicandopticalpropertiesofacompositeformedbythezeolitenaaandamagnetitecluster