Unzipping of Functionalized Multiwall Carbon Nanotubes Induced by STM

Paiva, Maria C.; Xu, Wei; Proença, M. Fernanda; Novais, Rui M.; Lægsgaard, Erik; Besenbacher, Flemming

doi:10.1021/nl100240n

Cited by 52 publications

(47 citation statements)

References 19 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…On the contrary, in the transversal configuration the average C-C distances for the smaller diameters are still close to the expected C-C sp 3 bond lengths. The average C-C distances are summarized in the plot of Fig.…”

Section: Contributed Articlesupporting

confidence: 59%

“…Opening pyrrolidine functionalized carbon nanotubes in solvent-free reaction has also been observed recently [3]. This non-oxidative process is expected to produce higher quality GNR.…”

Section: Introdutionmentioning

confidence: 80%

“…2. We may establish the value of 1.83 Å as the limit of the C-C distance to consider the sp 3 carbon atoms bonded. The energy barrier of the breaking bond is 1.4 eV per unit cell.…”

Section: Resultsmentioning

confidence: 99%

See 2 more Smart Citations

Ab‐initio modeling of carbon nanotubes functionalized with pyrrolidine

Almeida

Torres

2013

Phys. Status Solidi C

View full text Add to dashboard Cite

Recently it was found non‐oxidative unzipping of functionalized multiwall carbon nanotubes (CNT) in solvent‐free reaction. In order to relate the effect of functionalization to the unzipping process we have modelled, using ab‐initio methods, various small diameter single wall CNT functionalized with pyrrolidine. Using a density functional theory code we have studied the electronic and vibrational properties of these structures where the pyrrolidine on the external wall is either at longitudinal or transversal position. The hydrogenation of the nanotube along an axial unzipping direction is also simulated in order to evaluate its effect on the opening of hexagonal carbon structure as suggested in other works. We have found that only the longitudinal position of pyrrolidine along with hydrogenation induces the spontaneous opening of the CNT. This unzipping effect increases with the decreasing of CNT diameter. We also found important differences for the calculated local vibrational modes between longitudinal and transversal positions of pyrrolidine. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

show abstract

Section: Contributed Articlesupporting

confidence: 59%

“…Opening pyrrolidine functionalized carbon nanotubes in solvent-free reaction has also been observed recently [3]. This non-oxidative process is expected to produce higher quality GNR.…”

Section: Introdutionmentioning

confidence: 80%

See 1 more Smart Citation

Ab‐initio modeling of carbon nanotubes functionalized with pyrrolidine

Almeida

Torres

2013

Phys. Status Solidi C

View full text Add to dashboard Cite

show abstract

“…The resultant GNRs show promise for applications in nano-electronic devices. Interestingly, besides the desired GNR structures, an unexpected byproduct of incompletely unzipped structures are also found in some experiments 9,10 . Theoretical calculations 12,13 show that such unexpected structures have extraordinary electronic and magnetic properties because this junction structure combines the unique physical properties of CNTs and GNRs.…”

mentioning

confidence: 76%

“…Methods to synthesize graphene nano ribbons (GNRs) with well defined geometry have been explored 5,6 . Recently, several groups reported benchmark results of producing GNRs from longitudinal unzipping of CNTs [7][8][9][10][11] . The resultant GNRs show promise for applications in nano-electronic devices.…”

mentioning

confidence: 99%

Structural and mechanical properties of partially unzipped carbon nanotubes

2011

View full text Add to dashboard Cite

We report molecular dynamics simulations of structural and mechanical properties of partially unzipped carbon nanotubes. Our results show that in the absence of edge passivation, partially unzipped carbon nanotubes are unstable with rising temperature depending on the geometry of cutting. When the length-to-width ratio of the graphene segment is not sufficiently large, the dangling bonds at the cutting front tend to reconnect to each other and form back to carbon nanotube structure; otherwise the structures roll up at the graphene end due to the competition of bending stiffness between longitudinal direction and transverse direction. When the graphene edges are hydrogen saturated, the self-healing behavior is suppressed. Tensile tests show that partially unzipped carbon nanotubes exhibit brittle fracture behavior, with a Young's modulus around 700 GPa, which is comparable to that of carbon nanotubes and graphene.

show abstract

Cutting Graphitic Materials: A Promising Way to Prepare Graphene Nanoribbons

Zhang

2013

Graphene Chemistry

View full text Add to dashboard Cite

Unzipping of Functionalized Multiwall Carbon Nanotubes Induced by STM

Cited by 52 publications

References 19 publications

Ab‐initio modeling of carbon nanotubes functionalized with pyrrolidine

Ab‐initio modeling of carbon nanotubes functionalized with pyrrolidine

Structural and mechanical properties of partially unzipped carbon nanotubes

Cutting Graphitic Materials: A Promising Way to Prepare Graphene Nanoribbons

Contact Info

Product

Resources

About