Marcus Theory and Tunneling Method for the Electron Transfer Rate Analysis in Quantum Dot Sensitized Solar Cells in the Presence of Blocking Layer
In this research study, the effects of different parameters on the electron transfer rate from three quantum dots (QDs), CdSe, CdS, and CdTe, on three metal oxides (MOs), TiO<sub>2</sub>, SnO<sub>2</sub>, and SnO<sub>2</sub>, in quantum-dot-sensitized solar cells...
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MDPI AG
2023-09-01
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| Series: | Micromachines |
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| Online Access: | https://www.mdpi.com/2072-666X/14/9/1731 |
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| author | Mohammad Javad Fahimi Davood Fathi Mehdi Eskandari Narottam Das |
| author_facet | Mohammad Javad Fahimi Davood Fathi Mehdi Eskandari Narottam Das |
| author_sort | Mohammad Javad Fahimi |
| collection | DOAJ |
| description | In this research study, the effects of different parameters on the electron transfer rate from three quantum dots (QDs), CdSe, CdS, and CdTe, on three metal oxides (MOs), TiO<sub>2</sub>, SnO<sub>2</sub>, and SnO<sub>2</sub>, in quantum-dot-sensitized solar cells (QDSSCs) with porous structures in the presence of four types of blocking layers, ZnS, ZnO, TiO<sub>2</sub>, and Al<sub>2</sub>O<sub>3</sub>, are modeled and simulated using the Marcus theory and tunneling between two spheres for the first time. Here, the studied parameters include the change in the type and thickness of the blocking layer, the diameter of the QD, and the temperature effect. To model the effect of the blocking layer on the QD, the effective sphere method is used, and by applying it into the Marcus theory equation and the tunneling method, the electron transfer rate is calculated and analyzed. The obtained results in a wide range of temperatures of 250–400 °K demonstrate that, based on the composition of the MO-QD, the increase in the temperature could reduce or increase the electron transfer rate, and the change in the QD diameter could exacerbate the effects of the temperature. In addition, the results show which type and thickness of the blocking layer can achieve the highest electron transfer rate. In order to test the accuracy of the simulation method, we calculate the electron transfer rate in the presence of a blocking layer for a reported sample of a QDSSC manufacturing work, which was obtained with an error of ~3%. The results can be used to better interpret the experimental observations and to assist with the design and selection of the appropriate combination of MO-QD in the presence of a blocking layer effect. |
| first_indexed | 2024-03-10T22:27:14Z |
| format | Article |
| id | doaj.art-9a038fb4b8dd49bbac802092c7953040 |
| institution | Directory Open Access Journal |
| issn | 2072-666X |
| language | English |
| last_indexed | 2024-03-10T22:27:14Z |
| publishDate | 2023-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Micromachines |
| spelling | doaj.art-9a038fb4b8dd49bbac802092c79530402023-11-19T11:59:52ZengMDPI AGMicromachines2072-666X2023-09-01149173110.3390/mi14091731Marcus Theory and Tunneling Method for the Electron Transfer Rate Analysis in Quantum Dot Sensitized Solar Cells in the Presence of Blocking LayerMohammad Javad Fahimi0Davood Fathi1Mehdi Eskandari2Narottam Das3Department of Electrical and Computer Engineering, Tarbiat Modares University (TMU), Tehran 1411713116, IranDepartment of Electrical and Computer Engineering, Tarbiat Modares University (TMU), Tehran 1411713116, IranNanomaterial Research Group, Academic Center for Education, Culture & Research (ACECR) on TMU, Tehran 1411713116, IranSchool of Engineering and Technology, Central Queensland University, Melbourne, VIC 3000, AustraliaIn this research study, the effects of different parameters on the electron transfer rate from three quantum dots (QDs), CdSe, CdS, and CdTe, on three metal oxides (MOs), TiO<sub>2</sub>, SnO<sub>2</sub>, and SnO<sub>2</sub>, in quantum-dot-sensitized solar cells (QDSSCs) with porous structures in the presence of four types of blocking layers, ZnS, ZnO, TiO<sub>2</sub>, and Al<sub>2</sub>O<sub>3</sub>, are modeled and simulated using the Marcus theory and tunneling between two spheres for the first time. Here, the studied parameters include the change in the type and thickness of the blocking layer, the diameter of the QD, and the temperature effect. To model the effect of the blocking layer on the QD, the effective sphere method is used, and by applying it into the Marcus theory equation and the tunneling method, the electron transfer rate is calculated and analyzed. The obtained results in a wide range of temperatures of 250–400 °K demonstrate that, based on the composition of the MO-QD, the increase in the temperature could reduce or increase the electron transfer rate, and the change in the QD diameter could exacerbate the effects of the temperature. In addition, the results show which type and thickness of the blocking layer can achieve the highest electron transfer rate. In order to test the accuracy of the simulation method, we calculate the electron transfer rate in the presence of a blocking layer for a reported sample of a QDSSC manufacturing work, which was obtained with an error of ~3%. The results can be used to better interpret the experimental observations and to assist with the design and selection of the appropriate combination of MO-QD in the presence of a blocking layer effect.https://www.mdpi.com/2072-666X/14/9/1731blocking layerelectron transfer rateMarcus theoryQDSSCstunneling method |
| spellingShingle | Mohammad Javad Fahimi Davood Fathi Mehdi Eskandari Narottam Das Marcus Theory and Tunneling Method for the Electron Transfer Rate Analysis in Quantum Dot Sensitized Solar Cells in the Presence of Blocking Layer Micromachines blocking layer electron transfer rate Marcus theory QDSSCs tunneling method |
| title | Marcus Theory and Tunneling Method for the Electron Transfer Rate Analysis in Quantum Dot Sensitized Solar Cells in the Presence of Blocking Layer |
| title_full | Marcus Theory and Tunneling Method for the Electron Transfer Rate Analysis in Quantum Dot Sensitized Solar Cells in the Presence of Blocking Layer |
| title_fullStr | Marcus Theory and Tunneling Method for the Electron Transfer Rate Analysis in Quantum Dot Sensitized Solar Cells in the Presence of Blocking Layer |
| title_full_unstemmed | Marcus Theory and Tunneling Method for the Electron Transfer Rate Analysis in Quantum Dot Sensitized Solar Cells in the Presence of Blocking Layer |
| title_short | Marcus Theory and Tunneling Method for the Electron Transfer Rate Analysis in Quantum Dot Sensitized Solar Cells in the Presence of Blocking Layer |
| title_sort | marcus theory and tunneling method for the electron transfer rate analysis in quantum dot sensitized solar cells in the presence of blocking layer |
| topic | blocking layer electron transfer rate Marcus theory QDSSCs tunneling method |
| url | https://www.mdpi.com/2072-666X/14/9/1731 |
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