Photovoltaic performance of heteroatom-doped boron nitride quantum dots in quantum dot photovoltaic cells
The photovoltaic performance of C/O/S-doped hexagonal boron nitride (h-BN) quantum dots (QDs) is studied using density functional theory. Doping leads to occupied or unoccupied midgap states in h-BN QDs, resulting in a redshift in their absorption spectra. C-doping provides better charge transfer ca...
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| Format: | Article |
| Language: | English |
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Elsevier
2023-01-01
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| Series: | Catalysis Communications |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S1566736722001960 |
| _version_ | 1797956277491466240 |
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| author | Peng Cui Jian Zhang |
| author_facet | Peng Cui Jian Zhang |
| author_sort | Peng Cui |
| collection | DOAJ |
| description | The photovoltaic performance of C/O/S-doped hexagonal boron nitride (h-BN) quantum dots (QDs) is studied using density functional theory. Doping leads to occupied or unoccupied midgap states in h-BN QDs, resulting in a redshift in their absorption spectra. C-doping provides better charge transfer capability than S/O-doping. In addition, C-doping reduces the open-circuit voltage, light collection efficiency, fill factor, and driving forces of electron injection and reduction of h-BN QD. However, the fast non-radiative recombination deteriorates the energy conversion of C-doped h-BN QDs. The current study provides evidence for the rational design of photocatalytic devices based on h-BN QDs. |
| first_indexed | 2024-04-10T23:47:32Z |
| format | Article |
| id | doaj.art-f67b5845b4754a62b8623a31e74f9a98 |
| institution | Directory Open Access Journal |
| issn | 1873-3905 |
| language | English |
| last_indexed | 2024-04-10T23:47:32Z |
| publishDate | 2023-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Catalysis Communications |
| spelling | doaj.art-f67b5845b4754a62b8623a31e74f9a982023-01-11T04:28:08ZengElsevierCatalysis Communications1873-39052023-01-01174106590Photovoltaic performance of heteroatom-doped boron nitride quantum dots in quantum dot photovoltaic cellsPeng Cui0Jian Zhang1School of New Materials and Shoes & Clothing Engineering, Liming Vocational University, Quanzhou 362000, Fujian Province, P.R. China; Nanotechnology Research Laboratory, Jiangnan University, Wuxi 214122, Jiangsu Province, P.R. China; Corresponding author.Nanotechnology Research Laboratory, Jiangnan University, Wuxi 214122, Jiangsu Province, P.R. ChinaThe photovoltaic performance of C/O/S-doped hexagonal boron nitride (h-BN) quantum dots (QDs) is studied using density functional theory. Doping leads to occupied or unoccupied midgap states in h-BN QDs, resulting in a redshift in their absorption spectra. C-doping provides better charge transfer capability than S/O-doping. In addition, C-doping reduces the open-circuit voltage, light collection efficiency, fill factor, and driving forces of electron injection and reduction of h-BN QD. However, the fast non-radiative recombination deteriorates the energy conversion of C-doped h-BN QDs. The current study provides evidence for the rational design of photocatalytic devices based on h-BN QDs.http://www.sciencedirect.com/science/article/pii/S1566736722001960H-BN QDDensity functional theoryPhotovoltaic performanceNon-radiative recombinationHeteroatomic doping |
| spellingShingle | Peng Cui Jian Zhang Photovoltaic performance of heteroatom-doped boron nitride quantum dots in quantum dot photovoltaic cells Catalysis Communications H-BN QD Density functional theory Photovoltaic performance Non-radiative recombination Heteroatomic doping |
| title | Photovoltaic performance of heteroatom-doped boron nitride quantum dots in quantum dot photovoltaic cells |
| title_full | Photovoltaic performance of heteroatom-doped boron nitride quantum dots in quantum dot photovoltaic cells |
| title_fullStr | Photovoltaic performance of heteroatom-doped boron nitride quantum dots in quantum dot photovoltaic cells |
| title_full_unstemmed | Photovoltaic performance of heteroatom-doped boron nitride quantum dots in quantum dot photovoltaic cells |
| title_short | Photovoltaic performance of heteroatom-doped boron nitride quantum dots in quantum dot photovoltaic cells |
| title_sort | photovoltaic performance of heteroatom doped boron nitride quantum dots in quantum dot photovoltaic cells |
| topic | H-BN QD Density functional theory Photovoltaic performance Non-radiative recombination Heteroatomic doping |
| url | http://www.sciencedirect.com/science/article/pii/S1566736722001960 |
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