Electronic and optical properties of metal-doped TiO2 nanotubes: spintronic and photocatalytic applications
Due to their characteristic geometry, TiO _2 nanotubes (TNTs), suitably doped by metal-substitution to enhance their photocatalytic properties, have a high potential for applications such as clean fuel production. In this context, we present a detailed investigation of the magnetic, electronic, and...
Main Authors: | , |
---|---|
Format: | Article |
Language: | English |
Published: |
IOP Publishing
2020-01-01
|
Series: | New Journal of Physics |
Subjects: | |
Online Access: | https://doi.org/10.1088/1367-2630/abae87 |
_version_ | 1797750338713812992 |
---|---|
author | Mohamed M Fadlallah Ulrich Eckern |
author_facet | Mohamed M Fadlallah Ulrich Eckern |
author_sort | Mohamed M Fadlallah |
collection | DOAJ |
description | Due to their characteristic geometry, TiO _2 nanotubes (TNTs), suitably doped by metal-substitution to enhance their photocatalytic properties, have a high potential for applications such as clean fuel production. In this context, we present a detailed investigation of the magnetic, electronic, and optical properties of transition-metal doped TNTs, based on hybrid density functional theory. In particular, we focus on the 3 d , the 4 d , as well as selected 5 d transition-metal doped TNTs. Thereby, we are able to explain the enhanced optical activity and photocatalytic sensitivity observed in various experiments. We find, for example, that Cr- and W-doped TNTs can be employed for applications like water splitting and carbon dioxide reduction, and for spintronic devices. The best candidate for water splitting is Fe-doped TNT, in agreement with experimental observations. In addition, our findings provide valuable hints for future experimental studies of the ferromagnetic/spintronic behavior of metal-doped titania nanotubes. |
first_indexed | 2024-03-12T16:32:17Z |
format | Article |
id | doaj.art-41b2e2e7516940bf90c5ec95e3b0aebb |
institution | Directory Open Access Journal |
issn | 1367-2630 |
language | English |
last_indexed | 2024-03-12T16:32:17Z |
publishDate | 2020-01-01 |
publisher | IOP Publishing |
record_format | Article |
series | New Journal of Physics |
spelling | doaj.art-41b2e2e7516940bf90c5ec95e3b0aebb2023-08-08T15:27:06ZengIOP PublishingNew Journal of Physics1367-26302020-01-0122909302810.1088/1367-2630/abae87Electronic and optical properties of metal-doped TiO2 nanotubes: spintronic and photocatalytic applicationsMohamed M Fadlallah0https://orcid.org/0000-0003-2102-1022Ulrich Eckern1https://orcid.org/0000-0001-8917-9083Physics Department, Faculty of Science, Benha University , 13518 Benha, Egypt; Center for Computational Energy Research, Department of Applied Physics, Eindhoven University of Technology , P.O. Box 513, 5600 MB Eindhoven, The NetherlandsInstitute of Physics, University of Augsburg , 86135 Augsburg, GermanyDue to their characteristic geometry, TiO _2 nanotubes (TNTs), suitably doped by metal-substitution to enhance their photocatalytic properties, have a high potential for applications such as clean fuel production. In this context, we present a detailed investigation of the magnetic, electronic, and optical properties of transition-metal doped TNTs, based on hybrid density functional theory. In particular, we focus on the 3 d , the 4 d , as well as selected 5 d transition-metal doped TNTs. Thereby, we are able to explain the enhanced optical activity and photocatalytic sensitivity observed in various experiments. We find, for example, that Cr- and W-doped TNTs can be employed for applications like water splitting and carbon dioxide reduction, and for spintronic devices. The best candidate for water splitting is Fe-doped TNT, in agreement with experimental observations. In addition, our findings provide valuable hints for future experimental studies of the ferromagnetic/spintronic behavior of metal-doped titania nanotubes.https://doi.org/10.1088/1367-2630/abae87titania nanotubesmetal-dopingelectronic and optical propertiesphotocatalytic and spintronic applications |
spellingShingle | Mohamed M Fadlallah Ulrich Eckern Electronic and optical properties of metal-doped TiO2 nanotubes: spintronic and photocatalytic applications New Journal of Physics titania nanotubes metal-doping electronic and optical properties photocatalytic and spintronic applications |
title | Electronic and optical properties of metal-doped TiO2 nanotubes: spintronic and photocatalytic applications |
title_full | Electronic and optical properties of metal-doped TiO2 nanotubes: spintronic and photocatalytic applications |
title_fullStr | Electronic and optical properties of metal-doped TiO2 nanotubes: spintronic and photocatalytic applications |
title_full_unstemmed | Electronic and optical properties of metal-doped TiO2 nanotubes: spintronic and photocatalytic applications |
title_short | Electronic and optical properties of metal-doped TiO2 nanotubes: spintronic and photocatalytic applications |
title_sort | electronic and optical properties of metal doped tio2 nanotubes spintronic and photocatalytic applications |
topic | titania nanotubes metal-doping electronic and optical properties photocatalytic and spintronic applications |
url | https://doi.org/10.1088/1367-2630/abae87 |
work_keys_str_mv | AT mohamedmfadlallah electronicandopticalpropertiesofmetaldopedtio2nanotubesspintronicandphotocatalyticapplications AT ulricheckern electronicandopticalpropertiesofmetaldopedtio2nanotubesspintronicandphotocatalyticapplications |