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Computational studies of the excitonic and optical properties of armchair SWCNT and SWBNNT for optoelectronics applications

In this study, the optical refractive constants of the (5, 5) SWBNNT and (5, 5) SWCNT systems were calculated in both parallel and perpendicular directions of the tube axis by using Quantum ESPRESSO and YAMBO code. It also extended the optical behaviors of (5, 5) SWCNT and (5, 5) SWBNNT to both perp...

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Main Authors:	Itas, Yahaya Saadu, Suleiman, Abdussalam Balarabe, Ndikilar, Chifu E., Lawal, Abdullahi, Razali, Razif, Idowu, Ismail Ibrahim, Khandaker, Mayeen Uddin, Ahmad, Pervaiz, Tamam, Nissren, Sulieman, Abdelmoneim, Faruque, Mohammad Rashed Iqbal
Format:	Article
Language:	English
Published:	MDPI 2022
Subjects:	QC Physics
Online Access:	http://eprints.utm.my/103472/1/RazifRazali2022_ComputationalStudiesoftheExcitonicandOpticalProperties.pdf http://eprints.utm.my/103472/ http://dx.doi.org/10.3390/cryst12060870
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spelling	my.utm.1034722023-11-14T06:14:33Z http://eprints.utm.my/103472/ Computational studies of the excitonic and optical properties of armchair SWCNT and SWBNNT for optoelectronics applications Itas, Yahaya Saadu Suleiman, Abdussalam Balarabe Ndikilar, Chifu E. Lawal, Abdullahi Razali, Razif Idowu, Ismail Ibrahim Khandaker, Mayeen Uddin Ahmad, Pervaiz Tamam, Nissren Sulieman, Abdelmoneim Faruque, Mohammad Rashed Iqbal QC Physics In this study, the optical refractive constants of the (5, 5) SWBNNT and (5, 5) SWCNT systems were calculated in both parallel and perpendicular directions of the tube axis by using Quantum ESPRESSO and YAMBO code. It also extended the optical behaviors of (5, 5) SWCNT and (5, 5) SWBNNT to both perpendicular and parallel directions instead of the parallel directions reported in the literature. It also looked at the effects of the diameter of the nanotube on the optical properties instead of chiral angles. From our results, the best optical reflection was found for (5, 5) SWBNNT, while the best optical refraction was found with (5, 5) SWCNT. It was observed that the SWCNT demonstrates refraction in both parallel and perpendicular directions, while (5, 5) SWBNNT shows perfect absorption in perpendicular direction. These new features that appeared for both nanotubes in perpendicular directions were due to new optical band gaps, which appear in the perpendicular directions to both nanotubes’ axis. The electron energy loss (EEL) spectrum of SWBNNT revealed the prominent p-and p + d-Plasmon peaks, which demonstrates themselves in the reflectivity spectrum. Furthermore, little effect of diameter was observed for the perpendicular direction to both nanotubes’ axis, as such, the combined properties of (5, 5) SWBNNT and (5, 5) SWCNT materials/systems for transmitting light offer great potential for applications in mobile phone touch screens and mobile network antennas. In addition, the studies of optical properties in the perpendicular axis will help bring ultra-small nanotubes such as SWCNT and SWBNNT to the applications of next-generation nanotechnology. MDPI 2022 Article PeerReviewed application/pdf en http://eprints.utm.my/103472/1/RazifRazali2022_ComputationalStudiesoftheExcitonicandOpticalProperties.pdf Itas, Yahaya Saadu and Suleiman, Abdussalam Balarabe and Ndikilar, Chifu E. and Lawal, Abdullahi and Razali, Razif and Idowu, Ismail Ibrahim and Khandaker, Mayeen Uddin and Ahmad, Pervaiz and Tamam, Nissren and Sulieman, Abdelmoneim and Faruque, Mohammad Rashed Iqbal (2022) Computational studies of the excitonic and optical properties of armchair SWCNT and SWBNNT for optoelectronics applications. Crystals, 12 (6). pp. 1-12. ISSN 2073-4352 http://dx.doi.org/10.3390/cryst12060870 DOI : 10.3390/cryst12060870
institution	Universiti Teknologi Malaysia
building	UTM Library
collection	Institutional Repository
continent	Asia
country	Malaysia
content_provider	Universiti Teknologi Malaysia
content_source	UTM Institutional Repository
url_provider	http://eprints.utm.my/
language	English
topic	QC Physics
spellingShingle	QC Physics Itas, Yahaya Saadu Suleiman, Abdussalam Balarabe Ndikilar, Chifu E. Lawal, Abdullahi Razali, Razif Idowu, Ismail Ibrahim Khandaker, Mayeen Uddin Ahmad, Pervaiz Tamam, Nissren Sulieman, Abdelmoneim Faruque, Mohammad Rashed Iqbal Computational studies of the excitonic and optical properties of armchair SWCNT and SWBNNT for optoelectronics applications
description	In this study, the optical refractive constants of the (5, 5) SWBNNT and (5, 5) SWCNT systems were calculated in both parallel and perpendicular directions of the tube axis by using Quantum ESPRESSO and YAMBO code. It also extended the optical behaviors of (5, 5) SWCNT and (5, 5) SWBNNT to both perpendicular and parallel directions instead of the parallel directions reported in the literature. It also looked at the effects of the diameter of the nanotube on the optical properties instead of chiral angles. From our results, the best optical reflection was found for (5, 5) SWBNNT, while the best optical refraction was found with (5, 5) SWCNT. It was observed that the SWCNT demonstrates refraction in both parallel and perpendicular directions, while (5, 5) SWBNNT shows perfect absorption in perpendicular direction. These new features that appeared for both nanotubes in perpendicular directions were due to new optical band gaps, which appear in the perpendicular directions to both nanotubes’ axis. The electron energy loss (EEL) spectrum of SWBNNT revealed the prominent p-and p + d-Plasmon peaks, which demonstrates themselves in the reflectivity spectrum. Furthermore, little effect of diameter was observed for the perpendicular direction to both nanotubes’ axis, as such, the combined properties of (5, 5) SWBNNT and (5, 5) SWCNT materials/systems for transmitting light offer great potential for applications in mobile phone touch screens and mobile network antennas. In addition, the studies of optical properties in the perpendicular axis will help bring ultra-small nanotubes such as SWCNT and SWBNNT to the applications of next-generation nanotechnology.
format	Article
author	Itas, Yahaya Saadu Suleiman, Abdussalam Balarabe Ndikilar, Chifu E. Lawal, Abdullahi Razali, Razif Idowu, Ismail Ibrahim Khandaker, Mayeen Uddin Ahmad, Pervaiz Tamam, Nissren Sulieman, Abdelmoneim Faruque, Mohammad Rashed Iqbal
author_facet	Itas, Yahaya Saadu Suleiman, Abdussalam Balarabe Ndikilar, Chifu E. Lawal, Abdullahi Razali, Razif Idowu, Ismail Ibrahim Khandaker, Mayeen Uddin Ahmad, Pervaiz Tamam, Nissren Sulieman, Abdelmoneim Faruque, Mohammad Rashed Iqbal
author_sort	Itas, Yahaya Saadu
title	Computational studies of the excitonic and optical properties of armchair SWCNT and SWBNNT for optoelectronics applications
title_short	Computational studies of the excitonic and optical properties of armchair SWCNT and SWBNNT for optoelectronics applications
title_full	Computational studies of the excitonic and optical properties of armchair SWCNT and SWBNNT for optoelectronics applications
title_fullStr	Computational studies of the excitonic and optical properties of armchair SWCNT and SWBNNT for optoelectronics applications
title_full_unstemmed	Computational studies of the excitonic and optical properties of armchair SWCNT and SWBNNT for optoelectronics applications
title_sort	computational studies of the excitonic and optical properties of armchair swcnt and swbnnt for optoelectronics applications
publisher	MDPI
publishDate	2022
url	http://eprints.utm.my/103472/1/RazifRazali2022_ComputationalStudiesoftheExcitonicandOpticalProperties.pdf http://eprints.utm.my/103472/ http://dx.doi.org/10.3390/cryst12060870
_version_	1783876368002449408
score	13.211869

Computational studies of the excitonic and optical properties of armchair SWCNT and SWBNNT for optoelectronics applications

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