Related papers: Carbon-based nanostructures as a versatile platfor…
Triangulenes are prototypical examples of open-shell nanographenes. Their magnetic properties, arising from the presence of unpaired $\pi$ electrons, can be extensively tuned by modifying their size and shape or by introducing heteroatoms.…
Graphene, the one-atom-thick sp2 hybridized carbon crystal, displays unique electronic, structural and mechanical properties, which promise a large number of interesting applications in diverse high tech fields. Many of these applications…
We report production of nanostructured carbon foam by a high-repetition-rate, high-power laser ablation of glassy carbon in Ar atmosphere. A combination of characterization techniques revealed that the system contains both sp2 and sp3…
Carbon is conventionally not associated with magnetism, and much of the discussion of its nanotechnology perspectives appears to be centered on its electron transport properties. Among the few existing examples of magnetic carbon…
Nanographenes with zigzag edges are predicted to manifest non-trivial pi-magnetism resulting from the interplay of hybridization of localized frontier states and Coulomb repulsion between valence electrons. This provides a chemically…
Structural distortions in nano-materials can induce dramatic changes in their electronic properties. This situation is well manifested in graphene, a two-dimensional honeycomb structure of carbon atoms with only one atomic layer thickness.…
Carbon nanomembranes (CNMs) are nanometer-thin disordered carbon materials that are suitable for a range of applications, from energy generation and storage, through to water filtration. The structure-property relationships of these…
Understanding the magnetic properties of graphenic nanostructures is instrumental in future spintronics applications. These magnetic properties are known to depend crucially on the presence of defects. Here we review our recent theoretical…
The carbon nanostructures are perspective materials for the future applications. This has two reasons: first, the hexagonal atomic structure which enables a high molecular variability by placing different kinds of the defects and second,…
In this review, we present our recent computational work on carbon-based nanostructured composites. These materials consist of carbon crystallites embedded in an amorphous carbon matrix and are modeled here through classical and…
Carbon-based materials like nanotubes and graphene are heavily investigated as future CMOS-like devices and in interconnect applications. While much of the interest has been devoted to the device aspects in competition to conventional CMOS…
The unique topology and exceptional properties of carbon nanoscrolls (CNSs) have inspired unconventional nano-device concepts, yet the fabrication of CNSs remains rather challenging. Using molecular dynamics simulations, we demonstrate the…
We theoretically demonstrate that carbon nanoscrolls -- spirally wrapped graphene layers with open endpoints -- can be characterized by a large positive magnetoconductance. We show that when a carbon nanoscroll is subject to an axial…
The fabrication of atomically precise structures with designer electronic properties is one of the emerging topics in condensed matter physics. The required level of structural control can either be reached through atomic manipulation using…
We perform a first principle calculation on the electronic properties of carbon doped graphitic boron nitride graphitic BN. It was found that carbon substitution for either boron or nitrogen atom in graphitic BN can induce spontaneous…
We use large scale ab-initio calculations to describe electronic structures of graphene, graphene nanoribbons, and carbon nanotubes periodically perforated with nanopores. We disclose common features of these systems and develop a unified…
Graphene has been reported with record-breaking properties which have opened up huge potential applications. Considerable amount of researches have been devoted to manipulating or modify the properties of graphene to target a more smart…
In the quest for high-spin building blocks to form covalently bonded 1D or 2D materials with controlled magnetic interactions, $\pi$-electron magnetism provides an ideal framework to engineer large ferromagnetic interactions between…
Hydrogenated nanographite can display spontaneous magnetism. Recently we proposed that hydrogenation of nanographite is able to induce finite magnetization. We have performed theoretical investigation of a graphene ribbon in which each…
It has been a long-standing goal to create magnetism in a nonmagnetic material by manipulating its structure at the nanometer scale. This idea may be realized in graphitic carbon: evidence suggests magnetic states at the edges of graphene…