In silico modeling of indigo and Tyrian purple single-electron nano-transistors using density functional theory approach
Zitieren Sie bitte immer diese 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.…
Autor(en): | Sergey Shityakov, Norbert Roewer, Carola Förster, Jens-Albert Broscheit |
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URN: | urn:nbn:de:bvb:20-opus-158332 |
Dokumentart: | Artikel / Aufsatz in einer Zeitschrift |
Institute der Universität: | Medizinische Fakultät / Klinik und Poliklinik für Anästhesiologie (ab 2004) |
Sprache der Veröffentlichung: | Englisch |
Titel des übergeordneten Werkes / der Zeitschrift (Englisch): | Nanoscale Research Letters |
Erscheinungsjahr: | 2017 |
Band / Jahrgang: | 12 |
Heft / Ausgabe: | 439 |
Originalveröffentlichung / Quelle: | Nanoscale Research Letters (2017) 12:439. DOI: 10.1186/s11671-017-2193-7 |
DOI: | https://doi.org/10.1186/s11671-017-2193-7 |
Allgemeine fachliche Zuordnung (DDC-Klassifikation): | 6 Technik, Medizin, angewandte Wissenschaften / 61 Medizin und Gesundheit / 610 Medizin und Gesundheit |
Freie Schlagwort(e): | Tyrian purple; density functional theory; indigo; single-electron transistor |
Datum der Freischaltung: | 22.03.2018 |
Sammlungen: | Open-Access-Publikationsfonds / Förderzeitraum 2017 |
Lizenz (Deutsch): | CC BY: Creative-Commons-Lizenz: Namensnennung 4.0 International |