Linear Carbon Chains under High-Pressure Conditions

Author(s)

Andrade, N. F. ^[1] ; Aguiar, A. L. ^[2] ; Kim, Y. A. ^[3] ; Endo, M. ^[4] ; Freire, P. T. C. ^[1] ; Brunetto, G. ^[5] ; Galvao, D. S. ^[5] ; Dresselhaus, M. S. ^{[6, 7]} ; Souza Filho, A. G. ^[1]

Affiliation

^[1] Univ Fed Ceara, Dept Fis, BR-60455900 Fortaleza, Ceara - Brazil

^[2] Univ Fed Piaui, Dept Fis, BR-64049550 Teresina, Piaui - Brazil

^[3] Chonnam Natl Univ, Sch Polymer Sci & Engn, Kwangju 500757 - South Korea

^[4] Shinshu Univ, Fac Engn, Nagano 3808553 - Japan

^[5] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083859 Sao Paulo - Brazil

^[6] MIT, Dept Phys, Cambridge, MA 02139 - USA

^[7] MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 - USA

• Document type: Journal article
• Source: Journal of Physical Chemistry C; v. 119, n. 19, p. 10669-10676, MAY 14 2015.
• Web of Science Citations: 21

Abstract

A high-pressure resonance Raman spectroscopy study of linear carbon chains encapsulated inside multiwalled carbon nanotubes (MWCNTs) is reported. While the frequencies of the tangential modes of carbon nanotubes (G band) harden as the pressure increases, the vibrational frequencies of the chain modes (around 1850 cm(-1)) decrease, thus indicating a softening of the carbon-carbon bonds in this 1D solid. Pressure-induced irreversible structural changes in the linear carbon chains are unveiled by the red shift in the vibrational modes when pressure is released. These results have been interpreted as being due to a coalescence of carbon chains, and this hypothesis is supported by state-of-the-art atomistic reactive molecular dynamics simulations. (AU)

• FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
• Grantee: Munir Salomao Skaf
• Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC