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Updated: Feb 9, 2026

Simultaneous Synthesis of Single-walled Carbon Nanotubes and Graphene in a Magnetically-enhanced Arc Plasma
Published on: February 2, 2012
Theoretical Investigation of Single-Molecule Sensing Using Nanotube-Enhanced Circular Dichroism
Jaime Silva1, Bruce F Milne1,2,3, Fernando Nogueira1
1CFisUC, Department of Physics , University of Coimbra, Rua Larga , 3004-516 Coimbra , Portugal.
Abstract:
First-principles calculations have been used to investigate the potential use of circular dichroism (CD) spectroscopy in single-molecule sensing. Using a real-space implementation of time-dependent density functional theory (TDDFT), several systems involving single-walled carbon nanotubes (SWCNT) and small molecules have been studied to evaluate their CD response. Large induced CD (ICD) effects, differing for each test molecule, were observed in all SWCNT-molecule complexes. As the SWCNT used in this study shows no intrinsic CD response, the ICD spectra are the result of interaction with the small molecules. This finding is general and independent of the (a)chiral nature of the adsorbed molecule. Our results indicate that it is possible to design a system that uses SWCNT for detection of molecules using the change in CD spectrum of the system induced by adsorption of the molecule onto the SWCNT surface.
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