Vibrational properties of sp carbon atomic wires in cluster-assembled carbon films

TL;DR

This paper investigates the vibrational properties of sp carbon atomic wires within cluster-assembled carbon films to interpret Raman spectral features and understand their stability and decay mechanisms.

Contribution

It provides computational analysis linking vibrational properties of sp carbon chains to experimental Raman spectra in cluster-assembled films.

Findings

Vibrational features correlate with Raman spectra observations.

Air or oxygen exposure causes decay of sp components.

Computational results support experimental interpretations.

Abstract

Linear chains made by a single row of sp-hybridized carbon are predicted to display fascinating mechano-electronic properties connected with their termination and stabilization inside realistic carbon structures. The present work describes how the computed vibrational properties of cumulenic and polyynic carbon chains allow one to interpret the carbynic features observed in Raman spectra of cluster-assembled sp-sp2 films. The overall picture is consistent with the measured decay of the sp components induced by air or oxygen exposure.