Spin polarized conductance in hybrid graphene nanoribbons using 5-7 defects.

We present a class of intramolecular graphene heterojunctions and use first-principles density functional calculations to describe their electronic, magnetic, and transport properties. The hybrid graphene and hybrid graphene nanoribbons have both armchair and zigzag features that are separated by an interface made up of pentagonal and heptagonal carbon rings. Contrary to conventional graphene sheets, the computed electronic density of states indicates that all hybrid graphene and nanoribbon systems are metallic.

Effects of 45-nm silver nanoparticles on coronary endothelial cells and isolated rat aortic rings.

This study was undertaken to determine whether silver nanoparticles (Ag-45 nm NPs) induce selective and specific biological effects, such as induction of proliferation and nitric oxide (NO) production, and cytotoxicity in coronary endothelial cells (CECs), and regulation of vascular tone in isolated rat aortic rings. Physical characterization of Ag-45 nm NPs by transmission electron microscopy (TEM) demonstrated that nanoparticles ranging in size from 10 to 90 nm had biological effects on CECs. Increasing concentrations of Ag-45 nm NPs exerted a dual effect on cell proliferation whereby proliferation was inhibited at low concentrations of NPs and stimulated at high concentrations.

Longitudinal cutting of pure and doped carbon nanotubes to form graphitic nanoribbons using metal clusters as nanoscalpels.

We report the use of transition metal nanoparticles (Ni or Co) to longitudinally cut open multiwalled carbon nanotubes in order to create graphitic nanoribbons. The process consists of catalytic hydrogenation of carbon, in which the metal particles cut sp(2) hybridized carbon atoms along nanotubes that results in the liberation of hydrocarbon species. Observations reveal the presence of unzipped nanotubes that were cut by the nanoparticles.

Metallic and ferromagnetic edges in molybdenum disulfide nanoribbons.

The magnetic and electronic properties of MoS(2) nanoribbons with zigzag and armchair edges are investigated using LSDA-DFT. We found that the properties of the nanoribbons are very different from bulk MoS(2) due to edge states. Armchair nanoribbons could be metallic and exhibit a magnetic moment; however, when passivating with hydrogen, they become semiconducting.

Electronic transport and mechanical properties of phosphorus- and phosphorus-nitrogen-doped carbon nanotubes.

We present a density functional theory study of the electronic structure, quantum transport and mechanical properties of recently synthesized phosphorus (P) and phosphorus-nitrogen (PN) doped single-walled carbon nanotubes. The results demonstrate that substitutional P and PN doping creates localized electronic states that modify the electron transport properties by acting as scattering centers. Nonetheless, for low doping concentrations (1 doping site per ∼200 atoms), the quantum conductance for metallic nanotubes is found to be only slightly reduced.

Synthesis, electronic structure, and Raman scattering of phosphorus-doped single-wall carbon nanotubes.

Substitutional phosphorus doping in single-wall carbon nanotubes (SWNTs) is investigated by density functional theory and resonance Raman spectroscopy. Electronic structure calculations predict charge localization on the phosphorus atom, generating nondispersive valence and conduction bands close to the Fermi level. Besides confirming sustitutional doping, accurate analysis of electron and phonon renormalization effects in the double-resonance Raman process elucidates the different nature of the phosphorus donor doping (localized) when compared to nitrogen substitutional doping (nonlocalized) in SWNTs.

Simultaneous adsorption of Cd2+ and phenol on modified N-doped carbon nanotubes: experimental and DFT studies.

Carbon nanotubes are novel materials that have been investigated for diverse applications, but only a few studies have been focused on environmental issues. In this work, we report on the efficient adsorption of phenol and cadmium ions on N-doped carbon nanotubes (CNx), which have been modified in air at different temperatures. The pristine and modified CNx nanotubes were characterized by SEM, TGA, elemental analysis and their surface areas were also determined.

Controlled formation of sharp zigzag and armchair edges in graphitic nanoribbons.

Graphene nanoribbons can exhibit either quasi-metallic or semiconducting behavior, depending on the atomic structure of their edges. Thus, it is important to control the morphology and crystallinity of these edges for practical purposes. We demonstrated an efficient edge-reconstruction process, at the atomic scale, for graphitic nanoribbons by Joule heating.

Properties of one-dimensional molybdenum nanowires in a confined environment.

The atomistic mechanism for the self-assembly of molybdenum into one-dimensional metallic nanowires in a confined environment such as a carbon nanotube is investigated using quantum mechanical calculations. We find that Mo does not organize into linear chains but rather prefers to form four atom per unit cell nanowires that consist of a subunit of a Mo body-centered cubic crystal. Our model explains the 0.

Heterojunctions between metals and carbon nanotubes as ultimate nanocontacts.

We report the controlled formation and characterization of heterojunctions between carbon nanotubes and different metal nanocrystals (Fe, Co, Ni, and FeCo). The heterojunctions are formed from metal-filled multiwall carbon nanotubes (MWNTs) via intense electron beam irradiation at temperatures in the range of 450-700 degrees C and observed in situ in a transmission electron microscope. Under irradiation, the segregation of metal and carbon atoms occurs, leading to the formation of heterojunctions between metal and graphite.

Ex-MWNTs: graphene sheets and ribbons produced by lithium intercalation and exfoliation of carbon nanotubes.

We found that multiwalled carbon nanotubes (MWNTs) can be opened longitudinally by intercalation of lithium and ammonia followed by exfoliation. Intercalation of open-ended tubes and exfoliation with acid treatment and abrupt heating provided the best results. The resulting material consists of: (i) multilayered flat graphitic structures (nanoribbons), (ii) partially open MWNTs, and (iii) graphene flakes.

Super-robust, lightweight, conducting carbon nanotube blocks cross-linked by de-fluorination.

We produced large binder-free multi-walled carbon nanotube (MWNT) blocks from fluorinated MWNTs using thermal heating and a compressing method in vacuo. This technique resulted in the formation of covalent MWNT networks generated by the introduction of sp(3)-hybridized carbon atoms that cross-link between nanotubes upon de-fluorination. The resulting carbon nanotube blocks are lighter than graphite, can be machined and polished, and possess average bending strengths of 102.

Selective optical property modification of double-walled carbon nanotubes by fluorination.

We found that by fluorination of double-walled carbon nanotubes (DWNTs), it is possible to suppress only the Raman radial breathing mode and absorption peaks from the outer (large diameter) tubes of DWNTs. In contrast, Raman signals from the inner shells showed no difference from the pristine DWNTs. The stability of the inner shells of fluorinated DWNTs was also confirmed from the photoluminescence (PL) map and the optical absorption spectra, which only showed the signals from the inner shells of DWNTs, with no distinct change in the optical properties of the inner tubes after fluorination.

Heterodoped nanotubes: theory, synthesis, and characterization of phosphorus-nitrogen doped multiwalled carbon nanotubes.

Arrays of multiwalled carbon nanotubes doped with phosphorus (P) and nitrogen (N) are synthesized using a solution of ferrocene, triphenyl-phosphine, and benzylamine in conjunction with spray pyrolysis. We demonstrate that iron phosphide (Fe(3)P) nanoparticles act as catalysts during nanotube growth, leading to the formation of novel PN-doped multiwalled carbon nanotubes. The samples were examined by high resolution electron microscopy and microanalysis techniques, and their chemical stability was explored by means of thermogravimetric analysis in the presence of oxygen.

Guiding electrical current in nanotube circuits using structural defects: a step forward in nanoelectronics.

Electrical current could be efficiently guided in 2D nanotube networks by introducing specific topological defects within the periodic framework. Using semiempirical transport calculations coupled with Landauer-Buttiker formalism of quantum transport in multiterminal nanoscale systems, we provide a detailed analysis of the processes governing the atomic-scale design of nanotube circuits. We found that when defects are introduced as patches in specific sites, they act as bouncing centers that reinject electrons along specific paths, via a wave reflection process.

Raman spectroscopy study of isolated double-walled carbon nanotubes with different metallic and semiconducting configurations.

A double-walled carbon nanotube (DWNT) provides the simplest system to study the interaction between concentric layers in carbon nanotubes. The inner and outer walls of a DWNT can be metallic (M) or semiconducting (S), and each of the four possible configurations (M@M, M@S, S@S, S@M) has different electronic properties. Here we report, for the first time, detailed Raman spectroscopy experiments carried out on individual DWNTs, where both concentric tubes are measured under resonance conditions, in order to understand the dependence of their electronic and optical properties according to their configuration.

Electron and phonon renormalization near charged defects in carbon nanotubes.

Owing to their influence on electrons and phonons, defects can significantly alter electrical conductance, and optical, mechanical and thermal properties of a material. Thus, understanding and control of defects, including dopants in low-dimensional systems, hold great promise for engineered materials and nanoscale devices. Here, we characterize experimentally the effects of a single defect on electrons and phonons in single-wall carbon nanotubes.

Synthesis and characterization of selenium-carbon nanocables.

In this letter, we report the synthesis and characterization of a novel Se-C hybrid nanostructure. X-ray diffraction data indicates a high degree of crystallinity for the nanostructured Se shell. High resolution transmission electron microscopy images show that the Se-C nanostructures consist of coaxial nanocables made of single wall carbon nanotubes, as the core, surrounded by a trigonal Selenium shell.

Bulk production of a new form of sp(2) carbon: crystalline graphene nanoribbons.

We report the use of chemical vapor deposition (CVD) for the bulk production (grams per day) of long, thin, and highly crystalline graphene ribbons (<20-30 microm in length) exhibiting widths of 20-300 nm and small thicknesses (2-40 layers). These layers usually exhibit perfect ABAB..

Electron transport properties of ordered networks using carbon nanotubes.

The electronic transport properties of ordered networks using carbon nanotubes as building blocks (ON-CNTs) are investigated within the framework of a multiterminal Landauer-Buttiker formalism using an s,p(x),p(y),p(z) parameterization of the tight-binding Hamiltonian for carbon. The networks exhibit electron pathway selectiveness, which is shown to depend on the atomic structure of the network nodes imposed by the specific architecture of the network and the distribution of its defects (non-hexagonal rings). This work represents the first understandings towards leading current through well-defined trajectories along an organic nanocircuit.