Development of the Carbon Nano-Materials Genome Approach for Accelerating the Discovery of the Advanced Hybridized Functional Materials with Desired Properties: Controllable Synthesis, Experimental Characterization and Modeling by the Data Science Methods
Victor S. Abrukov, Alexander N. Lukin, Valery D. Kochakov, Oğuz Gülseren
Chuvash State UNiversity, Western-Caucasus Research Center, Bilkent University
Abstract: The fundamental research task of the Project is controllable synthesis and experimental and theoretical studies of the hybridized nanostructures based on a linear-chain carbon film (sp1-state) (LCCF) with embedded atoms of various chemical elements and development of the carbon nano-materials Genome Approach for accelerating the discovery of the advanced hybridized functional materials with desired properties.
The Project’s objectives are:
- development and improvement of synthesis technologies of new hybridized nanostructures on a base of embedding of atoms of various chemical elements into the LCCF;
- detailed experimental research of synthesized nanostructures with using a complex of modern experimental methods;
- development of the multi-factor computing models of the characteristics and properties of the hybridized nanostructures with using of the Data Science methods. The models will generalize the dependences of the electro-physical, optical, structural characteristics, biological and chemical properties of hybridized nanostructures on the parameters of synthesis technologies, types of atoms being inserted. Models will allow determine the parameters of synthesis technologies, providing hybridized nanostructures with predetermined characteristics;
- development of the fundamentals of creating functional nano-materials and nano-systems for various applications based on LCCF with embedding of atoms of various chemical elements;
- development of the carbon nano-materials Genome Approach for accelerating the discovery of the advanced hybridized functional nano-materials with desired properties.
Russian Research Team will provide ion-plasma driven synthesis of the new hybridized nanostructures, their characterization and multifactor modeling using data mining. The unique patent protected ion-plasma technology developed by the Russian project applicants (Novikov ND, Kochakov V.D) and a number of know-how will be used.
Linear chain carbon is a subject of increasing interest for its implications in fundamental science (carbyne as the carbon allotrope and the origin of carbon aggregates in the universe) as well as in nanotechnology and materials science (carbon atomic wires as tunable nanostructures).
Based on theoretical simulations, carbyne has the potential to be a champion material with mechanical, thermal, electronic and optical properties outperforming any other existent material.
Finite systems have shown, even experimentally, an extremely facile and wide tunability of optoelectronic properties.
Such kind of joint research can open a new insight into designing of the advanced nano-stuctures with unique electrophysical, optical, mechanical and structural properties that could serve as the basis for the development of new-generation functional nano-materials.
The study was funded by the RFBR and TUBITAK in accordance with research project No. 20-58-46014