期刊
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
卷 18, 期 7, 页码 -出版社
MDPI
DOI: 10.3390/ijms18071567
关键词
porous silicon; organic/inorganic hybrids; eumelanin; density functional theory; optical properties of materials
资金
- Regione Autonoma della Sardegna (RAS) basic research [CRP78744]
- IDEA-AISBL-Bruxelles
- Progetto biennale d'ateneo UniCa/FdS/RAS (Legge Regionale 7 agosto, annualita)-Multiphysics theoretical approach to thermoelectricity
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.
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