In Silico Modeling of Indigo and Tyrian Purple Single-Electron Nano-Transistors Using Density Functional Theory Approach
Abstract 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 propert...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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SpringerOpen
2017-07-01
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| Series: | Nanoscale Research Letters |
| Subjects: | |
| Online Access: | http://link.springer.com/article/10.1186/s11671-017-2193-7 |
| _version_ | 1797708080865083392 |
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| author | Sergey Shityakov Norbert Roewer Carola Förster Jens-Albert Broscheit |
| author_facet | Sergey Shityakov Norbert Roewer Carola Förster Jens-Albert Broscheit |
| author_sort | Sergey Shityakov |
| collection | DOAJ |
| description | Abstract 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. Graphical Abstract In silico model and gate coupling of indigoid single-electron nano-transistors |
| first_indexed | 2024-03-12T06:17:06Z |
| format | Article |
| id | doaj.art-c06ecb9c007845c89b64e3d59796e0e2 |
| institution | Directory Open Access Journal |
| issn | 1931-7573 1556-276X |
| language | English |
| last_indexed | 2024-03-12T06:17:06Z |
| publishDate | 2017-07-01 |
| publisher | SpringerOpen |
| record_format | Article |
| series | Nanoscale Research Letters |
| spelling | doaj.art-c06ecb9c007845c89b64e3d59796e0e22023-09-03T02:32:46ZengSpringerOpenNanoscale Research Letters1931-75731556-276X2017-07-011211810.1186/s11671-017-2193-7In Silico Modeling of Indigo and Tyrian Purple Single-Electron Nano-Transistors Using Density Functional Theory ApproachSergey Shityakov0Norbert Roewer1Carola Förster2Jens-Albert Broscheit3Department of Anesthesia and Critical Care, University of WürzburgDepartment of Anesthesia and Critical Care, University of WürzburgDepartment of Anesthesia and Critical Care, University of WürzburgDepartment of Anesthesia and Critical Care, University of WürzburgAbstract 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. Graphical Abstract In silico model and gate coupling of indigoid single-electron nano-transistorshttp://link.springer.com/article/10.1186/s11671-017-2193-7IndigoTyrian purpleSingle-electron transistorDensity functional theory |
| spellingShingle | Sergey Shityakov Norbert Roewer Carola Förster Jens-Albert Broscheit In Silico Modeling of Indigo and Tyrian Purple Single-Electron Nano-Transistors Using Density Functional Theory Approach Nanoscale Research Letters Indigo Tyrian purple Single-electron transistor Density functional theory |
| title | In Silico Modeling of Indigo and Tyrian Purple Single-Electron Nano-Transistors Using Density Functional Theory Approach |
| title_full | In Silico Modeling of Indigo and Tyrian Purple Single-Electron Nano-Transistors Using Density Functional Theory Approach |
| title_fullStr | In Silico Modeling of Indigo and Tyrian Purple Single-Electron Nano-Transistors Using Density Functional Theory Approach |
| title_full_unstemmed | In Silico Modeling of Indigo and Tyrian Purple Single-Electron Nano-Transistors Using Density Functional Theory Approach |
| title_short | In Silico Modeling of Indigo and Tyrian Purple Single-Electron Nano-Transistors Using Density Functional Theory Approach |
| title_sort | in silico modeling of indigo and tyrian purple single electron nano transistors using density functional theory approach |
| topic | Indigo Tyrian purple Single-electron transistor Density functional theory |
| url | http://link.springer.com/article/10.1186/s11671-017-2193-7 |
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