The core of this thesis is to provide an exhaustive identi cation of the vibrational properties of the cluster assembled sp-sp2 pure carbon material. This system consists in an amorphous sp2 matrix where spCCs are embedded and stabilized by sp2 fragments and it is synthesized by depositing, through the Supersonic Cluster Beam Deposition (SCBD) technique, sp-sp2 pure carbon clusters produced in a Pulsed Microplasma Cluster Source (PMCS). Although this material has been continuously studied for long time mainly by Raman spectroscopy, its vibrational features are not clear yet. In order obtain a better comprehension on the presence, structure and stability of spCCs in the sp-sp2 pure carbon, new experimental and theoretical eff orts are required. In particular it is necessary to clearly and unambiguously identify chains with di erent lengths and terminations in order to obtain a clear description of the physical and chemical properties characterizing the sp-sp2 material. Here I propose the synthesis, characterization and modeling of spCCs terminated by the simplest sp2 termination, i.e. Naphthalene, which well approximates an sp2 end-group present in the sp-sp2 system (graphene nano-ribbons). The combined experimental-theoretical study of the solution containing dinaphtylpolyynes with di erent length, performed through Infrared and Multi-Wavelength Resonant Raman spectroscopy combined with structural and vibrational ab-initio density-functional theory simulations, leads to the deep comprehension of the vibrational properties of the dinaphtylpolyynes. The model provided for dinaphtylpolyynes can be then used for the interpretation of the intricate results obtained by performing Infrared and Multi-Wavelength Resonant Raman experiment on the complex sp-sp2 pure carbon material.

(2012). Synthesis, characterization and modeling of SP-SP2 carbon systems. (Tesi di dottorato, Università degli Studi di Milano-Bicocca, 2012).

Synthesis, characterization and modeling of SP-SP2 carbon systems

CINQUANTA, EUGENIO LUIGI
2012

Abstract

The core of this thesis is to provide an exhaustive identi cation of the vibrational properties of the cluster assembled sp-sp2 pure carbon material. This system consists in an amorphous sp2 matrix where spCCs are embedded and stabilized by sp2 fragments and it is synthesized by depositing, through the Supersonic Cluster Beam Deposition (SCBD) technique, sp-sp2 pure carbon clusters produced in a Pulsed Microplasma Cluster Source (PMCS). Although this material has been continuously studied for long time mainly by Raman spectroscopy, its vibrational features are not clear yet. In order obtain a better comprehension on the presence, structure and stability of spCCs in the sp-sp2 pure carbon, new experimental and theoretical eff orts are required. In particular it is necessary to clearly and unambiguously identify chains with di erent lengths and terminations in order to obtain a clear description of the physical and chemical properties characterizing the sp-sp2 material. Here I propose the synthesis, characterization and modeling of spCCs terminated by the simplest sp2 termination, i.e. Naphthalene, which well approximates an sp2 end-group present in the sp-sp2 system (graphene nano-ribbons). The combined experimental-theoretical study of the solution containing dinaphtylpolyynes with di erent length, performed through Infrared and Multi-Wavelength Resonant Raman spectroscopy combined with structural and vibrational ab-initio density-functional theory simulations, leads to the deep comprehension of the vibrational properties of the dinaphtylpolyynes. The model provided for dinaphtylpolyynes can be then used for the interpretation of the intricate results obtained by performing Infrared and Multi-Wavelength Resonant Raman experiment on the complex sp-sp2 pure carbon material.
BENEDEK, GIORGIO
amorphous carbon, sp carbon chins, Raman spectroscopy, infrared spectroscopy, ab-initio calculation
FIS/03 - FISICA DELLA MATERIA
English
Scuola di dottorato di Scienze
SCIENZA DEI MATERIALI - 08R
24
2010/2011
(2012). Synthesis, characterization and modeling of SP-SP2 carbon systems. (Tesi di dottorato, Università degli Studi di Milano-Bicocca, 2012).
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/30254
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