NDLI: Hybrid nanotube-graphene junctions: spin degeneracy breaking and tunable electronic structure.

Please wait, while we are loading the content...

Hybrid nanotube-graphene junctions: spin degeneracy breaking and tunable electronic structure.

Content Provider	Semantic Scholar
Author	Qu, Zhi-Bei Li, Meina Shi, Guoyue Zhuang, Guilin
Copyright Year	2013
Abstract	Hybrid carbon nanostructures have attracted enormous interest due to their structural stability and unique physical properties. Geometric and physical properties of a carbon nanotube (CNT)-graphene nanoribbon (GNR) hybrid system were investigated via first-principles density functional theory (DFT) calculations. The nanotube-graphene junction (NTGJ), where the GNR directly links to the CNT by covalent bonds, shows novel electronic dependence on the structural parameters of the building-blocks, such as chirality, nanotube diameter and width of the nanoribbon. For an armchair NTGJ, a small band gap opens up representing asymmetrical spin-up and spin-down bands. However, zig-zag NTGJ shows direct semi-conducting characteristics with a tunable band gap ranging from zero to 0.6 eV. Interestingly, the value of the band gap follows the specific width and diameter dependent oscillations, namely the 3p - 1 principle. Transition-state results reveal the formation of NTGJs is exothermic and has a low energy-barrier. In addition, nanotube-graphene-nanotube junctions or namely dumbbell NTGJs were also studied, which exhibits similar properties with single NTGJ.
Starting Page	120
Ending Page	137
Page Count	18
File Format	PDF HTM / HTML
Alternate Webpage(s)	http://www.rsc.org/suppdata/cp/c3/c3cp53295j/c3cp53295j.pdf
PubMed reference number	24166658v1
Alternate Webpage(s)	https://doi.org/10.1039/c3cp53295j
DOI	10.1039/c3cp53295j
Journal	Physical chemistry chemical physics : PCCP
Volume Number	15
Issue Number	46
Language	English
Access Restriction	Open
Subject Keyword	Arabic numeral 0 Bands Behavior Covalent Interaction Diameter (qualifier value) Exhibits as Topic Graphene Maxillary right first molar prosthesis Nanoribbons Nanostructured Materials Nanotubes Nanotubes, Carbon Physical Phenomenon or Property ZAG protein, Streptococcal width
Content Type	Text
Resource Type	Article

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in