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In silico modeling of indigo and Tyrian purple single-electron nano-transistors using density functional theory approach

Please always quote using this URN: urn:nbn:de:bvb:20-opus-158332
  • The purpose of this study was to develop and implement an in silico model of indigoid-based single-electron transistor (SET) nanodevices, which consist of indigoid molecules from natural dye weakly coupled to gold electrodes that function in a Coulomb blockade regime. The electronic properties of the indigoid molecules were investigated using the optimized density-functional theory (DFT) with a continuum model. Higher electron transport characteristics were determined for Tyrian purple, consistent with experimentally derived data. Overall,The purpose of this study was to develop and implement an in silico model of indigoid-based single-electron transistor (SET) nanodevices, which consist of indigoid molecules from natural dye weakly coupled to gold electrodes that function in a Coulomb blockade regime. The electronic properties of the indigoid molecules were investigated using the optimized density-functional theory (DFT) with a continuum model. Higher electron transport characteristics were determined for Tyrian purple, consistent with experimentally derived data. Overall, these results can be used to correctly predict and emphasize the electron transport functions of organic SETs, demonstrating their potential for sustainable nanoelectronics comprising the biodegradable and biocompatible materials.show moreshow less

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Metadaten
Author: Sergey Shityakov, Norbert Roewer, Carola Förster, Jens-Albert Broscheit
URN:urn:nbn:de:bvb:20-opus-158332
Document Type:Journal article
Faculties:Medizinische Fakultät / Klinik und Poliklinik für Anästhesiologie (ab 2004)
Language:English
Parent Title (English):Nanoscale Research Letters
Year of Completion:2017
Volume:12
Issue:439
Source:Nanoscale Research Letters (2017) 12:439. DOI: 10.1186/s11671-017-2193-7
DOI:https://doi.org/10.1186/s11671-017-2193-7
Dewey Decimal Classification:6 Technik, Medizin, angewandte Wissenschaften / 61 Medizin und Gesundheit / 610 Medizin und Gesundheit
Tag:Tyrian purple; density functional theory; indigo; single-electron transistor
Release Date:2018/03/22
Collections:Open-Access-Publikationsfonds / Förderzeitraum 2017
Licence (German):License LogoCC BY: Creative-Commons-Lizenz: Namensnennung 4.0 International