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

International Journal of Molecular Sciences

Marco d’Ischia¹  Elisa Sechi²  Aleandro Antidormi²  Guido Mula²  Giancarlo Cappellini²  Claudio Melis²  Roberto Cardia²  Elisa Pinna²  Luciano Colombo² 

[1] Department of Organic Chemistry and Biochemistry, University of Naples “Federico II”, Via Cintia 4, 80126 Naples, Italy;Dipartimento di Fisica, Università degli Studi di Cagliari, S.P. 8 km 0.700, 09042 Monserrato, Italy;

关键词: porous silicon;    organic/inorganic hybrids;    eumelanin;    density functional theory;    optical properties of materials;   

DOI  :  10.3390/ijms18071567

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown