Exploring the structure and properties of new graphene-like polymers

November 5, 2018, Siberian Federal University
Types of polymerization and conductive properties of tetraoxa[8]circulene-based nanomaterials. Credit: Artem Kuklin, Gleb Baryshnikov, Siberian Federal University

A team of scientists from Siberian Federal University (SibFU), together with foreign colleagues, described the structural and physical properties of a group of two-dimensional materials based on polycyclic molecules called circulenes. The possibility of flexible design and variable properties of these materials make them suitable for nanoelectronics. The results are published in the Journal of Physical Chemistry C.

Circulenes are organic that consist of several hydrocarbon cycles forming a flower-like structure. Their high stability, symmetricity, and make them of special interest for nanoelectronics especially for solar cells and organic LEDs. The most stable and most studied tetraoxa[8]circulene molecule could be potentially polymerized into graphene-like nanoribbons and sheets. The authors have published the results of simulations proving this possibility. They also described properties and structure of the proposed materials.

"With only one building block—a tetraoxa[8]circulene molecule—we can create a material with properties similar to those of silicon (a semiconductor traditionally used in electronics) or graphene (a semimetal) depending on the synthesis parameters. However, the proposed materials have some advantages. The is about 10 times higher compared to silicon, therefore, one could expect higher conductivity," says the main author of the study Artem Kuklin, research associate at the department of theoretical physics of Siberian Federal University.

After determining the equilibrium geometries and testing their stability, the scientists discovered several stable tetraoxa[8]circulene-based polymers. The difference between them was in the type of coupling between the molecules, which resulted in different properties. The polymers demonstrate high charge carrier mobility. This property was analyzed by fitting of energy zones near the bandgap—a parameter represented by separation of empty and occupied electronic states. The mechanical properties demonstrate that the new materials are 1.5 to three times more stretchable than graphene. The authors also report the topological states in one of the polymers caused by spin-orbit coupling, which is not typical for light element-based materials. The materials are insulators in the bulk, but can conduct electricity on the surface (edges).

"The proposed nanostructures possess useful properties and may be used in the production of ionic sieves and for elements of nanoelectronic devices. Further, we plan to modify our compounds with metal adatoms to study their magnetic and catalytic . We would also like to find a research group that could synthesize these ," concludes Artem Kuklin.

Explore further: Novel nano material for quantum electronics

More information: Artem V. Kuklin et al. Strong Topological States and High Charge Carrier Mobility in Tetraoxa[8]circulene Nanosheets, The Journal of Physical Chemistry C (2018). DOI: 10.1021/acs.jpcc.8b08596

Related Stories

Novel nano material for quantum electronics

September 10, 2018

An international team led by Assistant Professor Kasper Steen Pedersen, DTU Chemistry, has synthesized a novel nano material with electrical and magnetic properties making it suitable for future quantum computers and other ...

Bismuth shows novel conducting properties

September 12, 2018

A team of international scientists including Maia G. Vergniory, Ikerbasque researcher at DIPC and UPV/EHU associate, has discovered a new class of materials, higher-order topological insulators. Theoretical physicists first ...

Levitating 2-D semiconductors for better performance

August 28, 2018

Atomically thin 2-D semiconductors have been drawing attention for their superior physical properties over silicon semiconductors; nevertheless, they are not the most appealing materials due to their structural instability ...

Recommended for you


Please sign in to add a comment. Registration is free, and takes less than a minute. Read more

Click here to reset your password.
Sign in to get notified via email when new comments are made.