ATOMIC STRUCTURE OF LINEAR-CHAINED CARBON COATINGS ON COPPER SUBSTRATE: SIMULATION AND INVESTIGATION BY RAMAN SCATTERING

Read more During the past decades, one-dimensional carbon allotropes were attracting much interest. One of such modifications consists of the sp¹ chains, ordered in a hexagonal array with nearly 5 angstroms interchain spacing – linear-chained carbon. The technological problem of LCC synthesis is the lack of characterization technique confirming its structure along chains. In this work, we try to improve the simple structural model of chained carbon by adding copper substrate and dopants. We compare the experimental Raman spectra with ones modelled by DFT. The calculation results explain the low-frequency features seen in experimental Raman spectra by the substrate-enhanced interaction of carbon chains.

Keywords:
carbyne, Raman, ab initio calculations, atomic structure.
УДК 538.911

ATOMIC STRUCTURE OF LINEAR-CHAINED CARBONCOATINGS ON COPPER SUBSTRATE: SIMULATION AND INVESTIGATIONBY RAMAN SCATTERING