Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite cluster.

IF 2.6 4区材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Beilstein Journal of Nanotechnology Pub Date : 2025-01-17 eCollection Date: 2025-01-01 DOI:10.3762/bjnano.16.5

Joel Antúnez-García, Roberto Núñez-González, Vitalii Petranovskii, H'Linh Hmok, Armando Reyes-Serrato, Fabian N Murrieta-Rico, Mufei Xiao, Jonathan Zamora

引用次数: 0

Abstract

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.

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沸石NaA与磁铁矿团簇形成的复合材料的电子和光学性质的理论研究。

利用DFT计算研究了在NaA沸石中引入磁铁矿团簇形成的复合材料的电子和光学性质。结果表明，簇的存在提高了复合材料的电子性能和光学性能。然而，沸石外的团簇所表现出的性质与它作为复合材料的一部分时所表现出的性质不同。值得注意的是，该复合材料具有半半导体的磁性，并且在光谱的可见和紫外区域具有较强的光学响应。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Beilstein Journal of Nanotechnology NANOSCIENCE & NANOTECHNOLOGY-MATERIALS SCIENCE, MULTIDISCIPLINARY

CiteScore

5.70

自引率

3.20%

发文量

109

审稿时长

2 months

期刊介绍： The Beilstein Journal of Nanotechnology is an international, peer-reviewed, Open Access journal. It provides a unique platform for rapid publication without any charges (free for author and reader) – Platinum Open Access. The content is freely accessible 365 days a year to any user worldwide. Articles are available online immediately upon publication and are publicly archived in all major repositories. In addition, it provides a platform for publishing thematic issues (theme-based collections of articles) on topical issues in nanoscience and nanotechnology. The journal is published and completely funded by the Beilstein-Institut, a non-profit foundation located in Frankfurt am Main, Germany. The editor-in-chief is Professor Thomas Schimmel – Karlsruhe Institute of Technology. He is supported by more than 20 associate editors who are responsible for a particular subject area within the scope of the journal.