Structure and Raman scattering of chained carbon films on copper substrate: ab initio approach

2nd International Conference on New Material and Chemical Industry

材料科学;化学工业

Buntov, E.A.^1 ; Zatsepin, A.F.^1 ; Guseva, M.B.^2 ; Boqizoda, D.A.^1 ; Oksengendler, B.L.^3

Institute of Physics and Technology, Ural Federal University, Ekaterinburg

620002, Russia^1

Faculty of Physics, Moscow State University, Moscow

119991, Russia^2

Institute of Ion-Plasma Technologies, Tashkent

100125, Uzbekistan^3

关键词: Ab initio approach;    Calculation results;    Carbon allotropes;    Characterization techniques;    Copper substrates;    Hexagonal arrays;    Low frequency features;    Structural modeling;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/292/1/012102/pdf
DOI  :  10.1088/1757-899X/292/1/012102

学科分类：材料科学（综合）

来源: IOP

【 摘 要 】

During the past decades one-dimensional carbon allotropes were attracting much interest. One of such modifications consists of the sp1chains, ordered in a hexagonal array with nearly 5 angstroms interchain spacing-linear-chained carbon (LCC). 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 LCC 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.