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Int. J. Mol. Sci. 2017, 18(7), 1567; doi:10.3390/ijms18071567

Deciphering Molecular Mechanisms of Interface Buildup and Stability in Porous Si/Eumelanin Hybrids

1
Dipartimento di Fisica, Università degli Studi di Cagliari, S.P. 8 km 0.700, 09042 Monserrato, Italy
2
Istituto Officina dei Materiali CNR-IOM, Unità di Cagliari SLACS, Cittadella Universitaria di Monserrato, S.P. 8 km 0.700, 09042 Monserrato, Italy
3
Department of Organic Chemistry and Biochemistry, University of Naples “Federico II”, Via Cintia 4, 80126 Naples, Italy
*
Authors to whom correspondence should be addressed.
Received: 14 June 2017 / Revised: 5 July 2017 / Accepted: 11 July 2017 / Published: 19 July 2017
(This article belongs to the Special Issue Melanin Based Functional Materials)
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Abstract

Porous Si/eumelanin hybrids are a novel class of organic–inorganic hybrid materials that hold considerable promise for photovoltaic applications. Current progress toward device setup is, however, hindered by photocurrent stability issues, which require a detailed understanding of the mechanisms underlying the buildup and consolidation of the eumelanin–silicon interface. Herein we report an integrated experimental and computational study aimed at probing interface stability via surface modification and eumelanin manipulation, and at modeling the organic–inorganic interface via formation of a 5,6-dihydroxyindole (DHI) tetramer and its adhesion to silicon. The results indicated that mild silicon oxidation increases photocurrent stability via enhancement of the DHI–surface interaction, and that higher oxidation states in DHI oligomers create more favorable conditions for the efficient adhesion of growing eumelanin. View Full-Text
Keywords: porous silicon; organic/inorganic hybrids; eumelanin; density functional theory; optical properties of materials porous silicon; organic/inorganic hybrids; eumelanin; density functional theory; optical properties of materials
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Pinna, E.; Melis, C.; Antidormi, A.; Cardia, R.; Sechi, E.; Cappellini, G.; d’Ischia, M.; Colombo, L.; Mula, G. Deciphering Molecular Mechanisms of Interface Buildup and Stability in Porous Si/Eumelanin Hybrids. Int. J. Mol. Sci. 2017, 18, 1567.

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