The adsorption of phthalocyanine (H2Pc) on the 6H-SiC(0001)-(3 × 3) surface is investigated using X-ray photoelectron spectroscopy (XPS), near edge X-ray absorption fine structure spectroscopy (NEXAFS), and density functional theory (DFT) calculations. Spectral features are tracked from the submonolayer to the multilayer growth regime, observing a significant modification of spectroscopic signals at low coverage with respect to the multilayer films, where molecules are weakly interacting. Molecules stay nearly flat on the surface at the mono and submonolayers. Previously proposed adsorption models, where the molecule binds by two N atoms to corresponding Si adatoms, do not reproduce the experimental spectra at the submonolayer coverage. We find instead that another adsorption model where the molecule replaces the two central H atoms by a Si adatom, effectively forming Si-phthalocyanine (SiPc), is both energetically more stable and yields in combination a better agreement between the experimental and simulated spectra. This suggests that the 6H-SiC(0001)-(3 × 3) surface may be a candidate substrate for the on-surface synthesis of SiPc molecules.

Phthalocyanine reactivity and interaction on the 6H-SiC(0001)-(3 × 3) surface investigated by core-level experiments and simulations / A. Baby, G. Marcaud, Y.J. Dappe, M. D'Angelo, J.-. Cantin, M.G. Silly, G. Fratesi. - In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS. - ISSN 1463-9076. - 24:24(2022 Jun 28), pp. 14937-14946. [10.1039/d2cp00750a]

Phthalocyanine reactivity and interaction on the 6H-SiC(0001)-(3 × 3) surface investigated by core-level experiments and simulations

G. Fratesi
Ultimo
2022

Abstract

The adsorption of phthalocyanine (H2Pc) on the 6H-SiC(0001)-(3 × 3) surface is investigated using X-ray photoelectron spectroscopy (XPS), near edge X-ray absorption fine structure spectroscopy (NEXAFS), and density functional theory (DFT) calculations. Spectral features are tracked from the submonolayer to the multilayer growth regime, observing a significant modification of spectroscopic signals at low coverage with respect to the multilayer films, where molecules are weakly interacting. Molecules stay nearly flat on the surface at the mono and submonolayers. Previously proposed adsorption models, where the molecule binds by two N atoms to corresponding Si adatoms, do not reproduce the experimental spectra at the submonolayer coverage. We find instead that another adsorption model where the molecule replaces the two central H atoms by a Si adatom, effectively forming Si-phthalocyanine (SiPc), is both energetically more stable and yields in combination a better agreement between the experimental and simulated spectra. This suggests that the 6H-SiC(0001)-(3 × 3) surface may be a candidate substrate for the on-surface synthesis of SiPc molecules.
Settore FIS/03 - Fisica della Materia
Settore CHIM/02 - Chimica Fisica
H20_RIA15GONID_M - Nanoscience Foundries and Fine Analysis - ONIDA, GIOVANNI - H20_RIA - Horizon 2020_Research & Innovation Action/Innovation Action - 2015
24-mag-2022
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/935396
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