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The role of theoretical studies in the formation of new materials

Theoretical studies of IPOC SFedU scientists allowed to reveal a new material, which can be useful in aerospace researches.

As a result of theoretical study of two- and three-dimensional structures based on boron, a group of young researchers under the guidance of academician V. I. Minkin and Prof. R. M. Minyaev discovered and explored supertetrahedral structure of the boron.  According to the computational modeling, this substance combines low weight (lighter than water) and electrical conductivity. At the same time functional characteristics of the material such as Jung's modulus, Poisson's ratio, elastic constants are very close to the values of traditional structural materials for aviation and space flight.

The results of investigations have been published in on of the most rating journals on chemistry - Angewandte chemie international edition (IF = 11,709).

Reference:
Getmanskii, I. V., Minyaev, R. M., Steglenko, D. V., Koval, V. V., Zaitsev, S. A. and Minkin, V. I. (2017), From Two- to Three-Dimensional Structures of a Supertetrahedral Boran Using Density Functional Calculations. Angew. Chem. Int. Ed. doi:10.1002/anie.201701225
http://onlinelibrary.wiley.com/doi/10.1002/anie.201701225/full


Hits: 2033. Created: Friday, 28 April 2017. Modified: Friday, 12 May 2017.
 
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