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Royal Society of Chemistry, RSC Advances, 55(6), p. 49505-49516, 2016

DOI: 10.1039/c6ra06832d

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Computational study of the structure, UV-vis absorption spectra and conductivity of biphenylene-based polymers and their boron nitride analogues

Journal article published in 2016 by Nataliya N. Karaush, Sergey V. Bondarchuk ORCID, Gleb V. Baryshnikov, Valentina A. Minaeva, Wen-Hua Sun ORCID, Boris F. Minaev
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

We calculated electronic and spectral properties of the 1D and 2D carbon and boron nitride materials composed of four-, six- and eight-membered rings by the DFT approach, including the band structure analysis.