The preparation of individual polyacetylene nanofibres has allowed a more probing investigation of the properties of polyacetylene. A significant discovery is that at low temperatures, polyacetylene nanofibres show temperature-independent Zener-type tunnelling, that we suggest is tunnelling of the conjugated-bond pattern along single polyacetylene chains. At higher temperatures, the current sho...

Using density-functional theory, we calculate the energy and electronic structure of a polyacetylene chain interacting with various carbon nanotubes. We find that polyacetylene chains are weakly attracted exohedrally or endohedrally to nanotubes. The equilibrium separation between the chain and the wall is close to 3.3 Å, suggesting an energetic preference for polyacetylene to be enclosed in na...

Polyacetylene, the simplest and oldest of potentially conducting polymers, has never been made in a form that permits rigorous determination of its structure. Trans polyacetylene in its fully extended form will have a potential energy surface with two equivalent minima. It has been assumed that this results in bond length alternation. It is, rather, very likely that the zero-point energy is abo...

Conjugated, conductive polymers are the key component in the development of flexible displays, low-cost, large-scale displays, and thin-film transistors. However, ever since the seminal discovery of the conductive nature of (“doped”) polyacetylene by Heeger, McDiarmid, Shirakawa, and coworkers, the processing of conductive polymers into devices has been a critical issue. The rigid conjugated po...

The temperature dependence of electrical conductivity and conductivity anisotropy of FeCI3 doped stretch-oriented polyacetylene film at different doping levels were measured by using Montgomery technique. The increase of conductivity anisotropy upon doping is related to the aligned fibrillar structure and the interfibrillar contact effect. Weak temperature dependence, the slight decrease at low...

Unexpectedly high Raman scattering activity of carbon-carbon bond length vibrations was found in polyacetylene nanoparticles. For exciting photon energy in the transparency range of nanopolyacetylene we observed extremely high Raman scattering cross section and high intensity ratio of anti-Stokes to Stokes bands. Furthermore, the Raman activity in trans-nanopolyacetylene is characterized by int...

The pinned mode in optically excited polyacetylene Is a vibrational envelope with a width of =500 cm centered at 500 cw,". The width of this mode has been attributed to single solitons interacting with a wide range of pinin par etrs. The constancy of the envelope for polyacetylene prepared by disparate methods (Shirakawa and Durham)d Cis-trans ratios, casts doubt on this concept as the underlyi...

We study the energetics of acetylene (C2H2) molecules inside a carbon nanotube (CNT) using the ab initio pseudopotential method. The encapsulation energy of a single C2H2 molecule into the nanotube and the formation energy of (C2H2) n @CNT are calculated. We investigate whether a polyacetylene chain can be produced by fusion of the close-packed acetylene molecules inside the CNT and find that t...