Stabilizers for functional copper nanomaterials for triboengineering
https://doi.org/10.12737/18268
Abstract
The formation of complexes of nitrogenated molecules with a small copper cluster Cun (n=1-7, 13) is systematically studied through the calculations by the density functional theory method. It is shown that the molecules of R1N=Y (Y=CR2R3, NR2, O) are promising for searching agents for copper clusters, as they are synthetically-available, can exert reducing properties, are firmly bound to the copper atoms, and do not distort the original cluster structure. Using any bulky substituent R, it is possible to block access to a large surface area of the cluster for aggressive compounds. Oxygen complexes on the surface of the copper cluster drastically fall short of the strength of the structures formed by molecules R1N=Y (Y=CR2R3, NR2, O). Depending on the cluster size, the interaction force varies in a sinusoidal manner from minimum to maximum.
About the Authors
Yu. S. Gerasina
Don State Technical University
Russian Federation
Russian Federation
E. S. Kochergin
Voronezh State Pedagogical University
Russian Federation
Russian Federation
Alexey A. Milov
Southern Scientific Center of the Russian Academy of Science
Russian Federation
Russian Federation
Boris S. Lukyanov
Southern Federal Univercity
Russian Federation
Russian Federation
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Review
For citations:
Gerasina Yu.S., Kochergin E.S., Milov A.A., Lukyanov B.S. Stabilizers for functional copper nanomaterials for triboengineering. Vestnik of Don State Technical University. 2016;16(1):99-106. (In Russ.) https://doi.org/10.12737/18268
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