CH3NH3PbX3 (X = I, Br) encapsulated in silicon carbide/carbon nanotube as advanced diodes

Abstract We employ first-principles density functional theory (DFT) calculations to study CH3NH3PbX3 (X = I, Br) and its encapsulation into the silicon carbide nanotube and carbon nanotube (CNT). Our results indicate that these devices show diode behaviors which act on negative bias voltage but do n...

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Autores principales:	Lishu Zhang, Xinyue Dai, Tao Li, Jie Li, Hui Li
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Silicon Carbide Nanotubes Projected Density Of States (PDOS) Bias Window Methylammonium Positive Voltage Range Medicine R Science Q
Acceso en línea:	https://doaj.org/article/ed7f29c91c4c43eebe4e42b46c62f591
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spelling	oai:doaj.org-article:ed7f29c91c4c43eebe4e42b46c62f5912021-12-02T15:08:25ZCH3NH3PbX3 (X = I, Br) encapsulated in silicon carbide/carbon nanotube as advanced diodes10.1038/s41598-018-33668-52045-2322https://doaj.org/article/ed7f29c91c4c43eebe4e42b46c62f5912018-10-01T00:00:00Zhttps://doi.org/10.1038/s41598-018-33668-5https://doaj.org/toc/2045-2322Abstract We employ first-principles density functional theory (DFT) calculations to study CH3NH3PbX3 (X = I, Br) and its encapsulation into the silicon carbide nanotube and carbon nanotube (CNT). Our results indicate that these devices show diode behaviors which act on negative bias voltage but do not work under positive voltage. When they are encapsulated into SiC nanotube and CNT, their electronic properties would be changed, especially, electric currents mainly exist at positive bias region. Corresponding transmission spectra and density of states are provided to interpret the transport mechanism of the CH3NH3PbX3 (X = I, Br) as a diode. These findings open a new door to microelectronics and integrated circuit components, providing theoretical foundation for innovation of the new generation of electronic materials.Lishu ZhangXinyue DaiTao LiJie LiHui LiNature PortfolioarticleSilicon Carbide NanotubesProjected Density Of States (PDOS)Bias WindowMethylammoniumPositive Voltage RangeMedicineRScienceQENScientific Reports, Vol 8, Iss 1, Pp 1-8 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Silicon Carbide Nanotubes Projected Density Of States (PDOS) Bias Window Methylammonium Positive Voltage Range Medicine R Science Q
spellingShingle	Silicon Carbide Nanotubes Projected Density Of States (PDOS) Bias Window Methylammonium Positive Voltage Range Medicine R Science Q Lishu Zhang Xinyue Dai Tao Li Jie Li Hui Li CH3NH3PbX3 (X = I, Br) encapsulated in silicon carbide/carbon nanotube as advanced diodes
description	Abstract We employ first-principles density functional theory (DFT) calculations to study CH3NH3PbX3 (X = I, Br) and its encapsulation into the silicon carbide nanotube and carbon nanotube (CNT). Our results indicate that these devices show diode behaviors which act on negative bias voltage but do not work under positive voltage. When they are encapsulated into SiC nanotube and CNT, their electronic properties would be changed, especially, electric currents mainly exist at positive bias region. Corresponding transmission spectra and density of states are provided to interpret the transport mechanism of the CH3NH3PbX3 (X = I, Br) as a diode. These findings open a new door to microelectronics and integrated circuit components, providing theoretical foundation for innovation of the new generation of electronic materials.
format	article
author	Lishu Zhang Xinyue Dai Tao Li Jie Li Hui Li
author_facet	Lishu Zhang Xinyue Dai Tao Li Jie Li Hui Li
author_sort	Lishu Zhang
title	CH3NH3PbX3 (X = I, Br) encapsulated in silicon carbide/carbon nanotube as advanced diodes
title_short	CH3NH3PbX3 (X = I, Br) encapsulated in silicon carbide/carbon nanotube as advanced diodes
title_full	CH3NH3PbX3 (X = I, Br) encapsulated in silicon carbide/carbon nanotube as advanced diodes
title_fullStr	CH3NH3PbX3 (X = I, Br) encapsulated in silicon carbide/carbon nanotube as advanced diodes
title_full_unstemmed	CH3NH3PbX3 (X = I, Br) encapsulated in silicon carbide/carbon nanotube as advanced diodes
title_sort	ch3nh3pbx3 (x = i, br) encapsulated in silicon carbide/carbon nanotube as advanced diodes
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/ed7f29c91c4c43eebe4e42b46c62f591
work_keys_str_mv	AT lishuzhang ch3nh3pbx3xibrencapsulatedinsiliconcarbidecarbonnanotubeasadvanceddiodes AT xinyuedai ch3nh3pbx3xibrencapsulatedinsiliconcarbidecarbonnanotubeasadvanceddiodes AT taoli ch3nh3pbx3xibrencapsulatedinsiliconcarbidecarbonnanotubeasadvanceddiodes AT jieli ch3nh3pbx3xibrencapsulatedinsiliconcarbidecarbonnanotubeasadvanceddiodes AT huili ch3nh3pbx3xibrencapsulatedinsiliconcarbidecarbonnanotubeasadvanceddiodes
_version_	1718388160506888192

CH3NH3PbX3 (X = I, Br) encapsulated in silicon carbide/carbon nanotube as advanced diodes

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