Enhanced thermoelectric properties in Sb/Ge core/shell nanowires through vacancy modulation

Abstract In the present work, we have modified the physical and electronic structure of Sb/Ge core/shell nanowires via vacancy creation and doping with foreign atoms with the aim to improve their thermoelectric energy conversion efficiency. Sb/Ge-NWs having a diameter of 1.5 Å show metallicity with...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Prabal Dev Bhuyan, P. N. Gajjar, Rita Magri, Sanjeev K. Gupta
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/22755033118a4288bf47949170476612
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:22755033118a4288bf47949170476612
record_format	dspace
spelling	oai:doaj.org-article:22755033118a4288bf479491704766122021-11-14T12:23:33ZEnhanced thermoelectric properties in Sb/Ge core/shell nanowires through vacancy modulation10.1038/s41598-021-01301-72045-2322https://doaj.org/article/22755033118a4288bf479491704766122021-11-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-01301-7https://doaj.org/toc/2045-2322Abstract In the present work, we have modified the physical and electronic structure of Sb/Ge core/shell nanowires via vacancy creation and doping with foreign atoms with the aim to improve their thermoelectric energy conversion efficiency. Sb/Ge-NWs having a diameter of 1.5 Å show metallicity with 2Go quantum conductance. The stability of the nanowires is assessed through the calculation of their formation energy. The formation of one vacancy at either the Sb- and Ge-site modifies substantially the electronic properties. From the comparison of the thermoelectric properties of the nanowires with and without the vacancy, we have found that the figure of merit for the Sb/Ge NW with one Sb vacancy increases of 0.18 compared to the pristine NW. The NW doping with different transition metals: Fe, Co, Ni and Cu have been found to also enhance the conversion efficiency. Thus, our calculations show that the thermoelectric performance of metal–semiconductor core–shell NWs can be in principle improved as much as 80% by vacancy formation and doping.Prabal Dev BhuyanP. N. GajjarRita MagriSanjeev K. GuptaNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-10 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Prabal Dev Bhuyan P. N. Gajjar Rita Magri Sanjeev K. Gupta Enhanced thermoelectric properties in Sb/Ge core/shell nanowires through vacancy modulation
description	Abstract In the present work, we have modified the physical and electronic structure of Sb/Ge core/shell nanowires via vacancy creation and doping with foreign atoms with the aim to improve their thermoelectric energy conversion efficiency. Sb/Ge-NWs having a diameter of 1.5 Å show metallicity with 2Go quantum conductance. The stability of the nanowires is assessed through the calculation of their formation energy. The formation of one vacancy at either the Sb- and Ge-site modifies substantially the electronic properties. From the comparison of the thermoelectric properties of the nanowires with and without the vacancy, we have found that the figure of merit for the Sb/Ge NW with one Sb vacancy increases of 0.18 compared to the pristine NW. The NW doping with different transition metals: Fe, Co, Ni and Cu have been found to also enhance the conversion efficiency. Thus, our calculations show that the thermoelectric performance of metal–semiconductor core–shell NWs can be in principle improved as much as 80% by vacancy formation and doping.
format	article
author	Prabal Dev Bhuyan P. N. Gajjar Rita Magri Sanjeev K. Gupta
author_facet	Prabal Dev Bhuyan P. N. Gajjar Rita Magri Sanjeev K. Gupta
author_sort	Prabal Dev Bhuyan
title	Enhanced thermoelectric properties in Sb/Ge core/shell nanowires through vacancy modulation
title_short	Enhanced thermoelectric properties in Sb/Ge core/shell nanowires through vacancy modulation
title_full	Enhanced thermoelectric properties in Sb/Ge core/shell nanowires through vacancy modulation
title_fullStr	Enhanced thermoelectric properties in Sb/Ge core/shell nanowires through vacancy modulation
title_full_unstemmed	Enhanced thermoelectric properties in Sb/Ge core/shell nanowires through vacancy modulation
title_sort	enhanced thermoelectric properties in sb/ge core/shell nanowires through vacancy modulation
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/22755033118a4288bf47949170476612
work_keys_str_mv	AT prabaldevbhuyan enhancedthermoelectricpropertiesinsbgecoreshellnanowiresthroughvacancymodulation AT pngajjar enhancedthermoelectricpropertiesinsbgecoreshellnanowiresthroughvacancymodulation AT ritamagri enhancedthermoelectricpropertiesinsbgecoreshellnanowiresthroughvacancymodulation AT sanjeevkgupta enhancedthermoelectricpropertiesinsbgecoreshellnanowiresthroughvacancymodulation
_version_	1718429215979732992

Enhanced thermoelectric properties in Sb/Ge core/shell nanowires through vacancy modulation

Ejemplares similares