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Noncovalent functionalization of carbon nanotubes and graphene with tetraphenylporphyrins: stability and optical properties from ab initio calculations
(Journal of Materials Science, 2014-11)
The stability, electronic, and optical properties of single-walled carbon nanotubes (CNTs) and graphene non-covalently functionalized with free-base tetraphenylporphyrin (TPP) molecules is addressed by density functional ...
Electrochemical behaviour of different redox probes on single wall carbon nanotube buckypaper-modified electrodes
(Pergamon-Elsevier Science Ltd, 2014-05-10)
In the present work, the electrochemical properties of single-walled carbon nanotube buckypapers (BPs) were examined in terms of carbon nanotubes nature and preparation conditions. The performance of the different free-standing ...
Structural, electronic and magnetic properties of vacancies in single-walled carbon nanotubes
(ELSEVIER, 2006-09-15)
The monovacancy and the divacancy in single-walled carbon nanotubes (CNTs) are addressed by spin-density functional calculations. We study these defects in four nanotubes, the armchair (6,6) and (8,8) and the zigzag (10, ...
Single-Wall Carbon Nanotubes Covalently Functionalized with Polylysine: Synthesis, Characterization and Analytical Applications for the Development of Electrochemical (Bio)Sensors
(Wiley VCH Verlag, 2014-05)
This work reports the synthesis of single-wall carbon nanotubes (SWCNT) covalently functionalized with polylysine (Plys) and the analytical performance of glassy carbon electrodes (GCE) modified with this material ...
Enhancing the electrocatalytic activity of Fe phthalocyanines for the oxygen reduction reaction by the presence of axial ligands: Pyridine-functionalized single-walled carbon nanotubes
(2021)
We have examined the electrocatalytic activity of iron phthalocyanine (FePc) and perchlorinated iron phthalocyanine 16(Cl)FePc for the oxygen reduction reaction (ORR) in alkaline medium with the two molecules either adsorbed ...
Periodic density functional theory study of structural and electronic properties of single-walled zinc oxide and carbon nanotubes
(2016-05-01)
Periodic density functional theory calculations with the B3LYP hybrid functional and all-electron Gaussian basis set were performed to simulate the structural and electronic properties as well as the strain and formation ...
Single-Wall Carbon Nanotubes Chemically Modified with Cysteamine and Their Application in Polymer Solar Cells: Influence of the Chemical Modification on Device Performance
(Amer Scientific PublishersStevenson RanchEUA, 2009)
Adsorption of triclosan on single wall carbon nanotubes: A first principle approach
(2017-05-01)
The interaction of triclosan on (8,0) and (5,5) single wall carbon nanotube (SWCNT) was investigated using density functional calculations. The results show that the adsorption of triclosan modifies the electronic properties ...
A bench arc-furnace facility for fullerene and single-wall nanotubes synthesis
(Sociedade Brasileira de Química, 2001)
Synthesis of single-wall nanotubes by pyrolysis of graphite in helium atmosphere.
(Soc Brasileira QuimicaSao PauloBrasil, 2002)