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

作者：Pinna Elisa^*; Melis Claudio^*; Antidormi Aleandro; Cardia Roberto; Sechi Elisa; Cappellini Giancarlo; d'Ischia Marco; Colombo Luciano; Mula Guido

来源：International Journal of Molecular Sciences, 2017, 18(7): 1567.

DOI：10.3390/ijms18071567

• porous silicon
• organic/inorganic hybrids
• eumelanin
• density functional theory
• optical properties of materials

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.

• 出版日期2017-7