Publication

Optical gap and fundamental gap of oligoynes and carbyne

Abstract

The optoelectronic properties of various carbon allotropes and nanomaterials have been well established, while the purely sp-hybridized carbyne remains synthetically inaccessible. Its properties have therefore frequently been extrapolated from those of defined oligomers. Most analyses have, however, focused on the main optical transitions in UV-Vis spectroscopy, neglecting the frequently observed weaker optical bands at significantly lower energies. Here, we report a systematic photophysical analysis as well as computations on two homologous series of oligoynes that allow us to elucidate the nature of these weaker transitions and the intrinsic photophysical properties of oligoynes. Based on these results, we reassess the estimates for both the optical and fundamental gap of carbyne to below 1.6eV, significantly lower than previously suggested by experimental studies of oligoynes. Carbyne, a linear sp-hybridized carbon allotrope, is synthetically inaccessible and its properties are extrapolated from those of defined oligomers. Here the authors analyze weak optical bands in two series of oligoynes and reassess the optical and fundamental gap of carbyne to lower values than previously suggested.

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Ontological neighbourhood
Related concepts (32)
Allotropes of carbon
Carbon is capable of forming many allotropes (structurally different forms of the same element) due to its valency. Well-known forms of carbon include diamond and graphite. In recent decades, many more allotropes have been discovered and researched, including ball shapes such as buckminsterfullerene and sheets such as graphene. Larger-scale structures of carbon include nanotubes, nanobuds and nanoribbons. Other unusual forms of carbon exist at very high temperatures or extreme pressures.
Optical amplifier
An optical amplifier is a device that amplifies an optical signal directly, without the need to first convert it to an electrical signal. An optical amplifier may be thought of as a laser without an optical cavity, or one in which feedback from the cavity is suppressed. Optical amplifiers are important in optical communication and laser physics. They are used as optical repeaters in the long distance fiberoptic cables which carry much of the world's telecommunication links.
Linear acetylenic carbon
Linear acetylenic carbon (LAC), also known as carbyne or Linear Carbon Chain (LCC), is an allotrope of carbon that has the chemical structure as a repeat unit, with alternating single and triple bonds. It would thus be the ultimate member of the polyyne family. This polymeric carbyne is of considerable interest to nanotechnology as its Young's modulus is 32.7TPa – forty times that of diamond; this extraordinary number is, however, based on a novel definition of cross-sectional area that does not correspond to the space occupied by the structure.
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