Graphyne layers formed on the basis of 5 – 7 graphene layers
V.V. Mavrinskii1, E.A. Belenkov2
1 Nosov Magnitogorsk State Technical University
2 Chelyabinsk State University
Abstract: The geometrically optimized structure of 43 new polymorphic varieties of L5-7α graphyne layers modeled on the basis of layers 5 – 7 of graphene has been calculated by the method of MM2 molecular mechanics. It was found that 3 polymorphic varieties of α type and 20 varieties of β and γ types are possible. The γ1 – L5-7α is the most stable layer since it has the minimal deformation parameter Def = 9,0°. Practical applications of new graphyne polymorphs can be used for molecular sieves or hydrogen adsorbents.
Keywords: graphene, graphyne layers, hybrid carbon compounds, polymorphism, two-dimensional nanostructures, polymorphism, crystal structure
- Victor V. Mavrinskii – Ph. D., Docent, Physics Department, Institute of Natural Science and Standardization, Nosov Magnitogorsk State Technical University
- Evgeny A. Belenkov – Dr. Sc., Full Professor, Condensed Matter Physics Department, Physical Faculty, Chelyabinsk State University
Mavrinskii, V.V. Graphyne layers formed on the basis of 5 – 7 graphene layers / V.V. Mavrinskii, E.A. Belenkov // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. – Tver: TSU, 2020. — I. 12. — P. 446-456. DOI: 10.26456/pcascnn/2020.12.446. (In Russian).
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