نتایج جستجو برای: coronene
تعداد نتایج: 307 فیلتر نتایج به سال:
We studied the self-assembly of trimesic acid on single- and few-layer graphene supported by SiO2 substrates. A scanning tunneling microscope operated under ambient conditions was utilized to image supramolecular networks of trimesic acid at liquid-graphene interfaces. Trimesic acid can self-assemble into large-scale, highly ordered adlayers on graphene surfaces. Phase transition of the trimesi...
Exfoliated monolayer graphene flakes were embedded in a polymer matrix and loaded under axial compression. By monitoring the shifts of the 2D Raman phonons of rectangular flakes of various sizes under load, the critical strain to failure was determined. Prior to loading care was taken for the examined area of the flake to be free of residual stresses. The critical strain values for first failur...
In previously reported experiments, the car cinogenic potency for mice of extracts of processed rubber was traced to the presence of 3,4-benz pyrene and related compounds (13). A search for the origin of these hydrocarbons was next under taken. Samples of crude rubber, both natural and synthetic, did not contain any of these hydrocar bons when they were sought by extraction, chro matography, an...
Ab initio calculations of the current density induced by an external magnetic field in altan-[10,5]coronene 3 (or altan(2)-[10]annulene) indicate the onset of a diatropic current on the outer loop (the "perimeter"), thus in contrast to the intentional design of altan-molecules. Spectral decomposition of the current shows that the failure of the altanisation design can be expected whenever the p...
The electronic and optical properties of polycyclic aromatic hydrocarbons (PAHs) present a strong dependence on their size and geometry. We tackle this issue by analyzing the spectral features of two prototypical classes of PAHs, belonging to D6h and D2h symmetry point groups and related to coronene as multifunctional seed. While the size variation induces an overall red shift of the spectra an...
The H-graphite interaction is studied for the first time in the framework of density functional theory. A coronene-like Ž . model of the 0001 graphite surface is considered. LSD and LSDqGGA results are presented for both a planar substrate and for considering substrate relaxation. Two adsorption regions separated by a barrier are found: a physisorption region ̊ ̊ around 3 A from the surface and a...
Studying carbon, with its many allotropes and compounds, is one of the most fascinating problems in science. To mention only physics, before graphene, which was awarded the Nobel prize in 2010 opening exciting perspectives for fundamental and applied research, many other systems, such as nanotubes, fullerenes and intercalated graphites have played an important role in several fields, including ...
Understanding magnetism and electron correlation in many unconventional superconductors is essential to explore mechanism of superconductivity. In this work, we perform a systematic numerical study of the magnetic and pair binding properties in recently discovered polycyclic aromatic hydrocarbon (PAH) superconductors including alkali-metal-doped picene, coronene, phenanthrene, and dibenzopentac...
The hydrogen-abstraction/acetylene-addition mechanism has been fundamental to unravelling the synthesis of polycyclic aromatic hydrocarbons (PAHs) detected in combustion flames and carbonaceous meteorites like Orgueil and Murchison. However, the fundamental reaction pathways accounting for the synthesis of complex PAHs, such as the tricyclic anthracene and phenanthrene along with their dihydrog...
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