First-Principles Study of the Band Gap Structure of Oxygen-Passivated Silicon Nanonets
<p>Abstract</p> <p>A net-like nanostructure of silicon named silicon nanonet was designed and oxygen atoms were used to passivate the dangling bonds. First-principles calculation based on density functional theory with the generalized gradient approximation (GGA) were carried out t...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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SpringerOpen
2009-01-01
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| Series: | Nanoscale Research Letters |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.1007/s11671-009-9259-0 |
| _version_ | 1827834156916146176 |
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| author | Lin Linhan Li DeXing Feng Jiayou |
| author_facet | Lin Linhan Li DeXing Feng Jiayou |
| author_sort | Lin Linhan |
| collection | DOAJ |
| description | <p>Abstract</p> <p>A net-like nanostructure of silicon named silicon nanonet was designed and oxygen atoms were used to passivate the dangling bonds. First-principles calculation based on density functional theory with the generalized gradient approximation (GGA) were carried out to investigate the energy band gap structure of this special structure. The calculation results show that the indirect–direct band gap transition occurs when the nanonets are properly designed. This band gap transition is dominated by the passivation bonds, porosities as well as pore array distributions. It is also proved that Si–O–Si is an effective passivation bond which can change the band gap structure of the nanonets. These results provide another way to achieve a practical silicon-based light source.</p> |
| first_indexed | 2024-03-12T05:45:01Z |
| format | Article |
| id | doaj.art-fda295baf9a1463ea3ac9a9e55d481a9 |
| institution | Directory Open Access Journal |
| issn | 1931-7573 1556-276X |
| language | English |
| last_indexed | 2024-03-12T05:45:01Z |
| publishDate | 2009-01-01 |
| publisher | SpringerOpen |
| record_format | Article |
| series | Nanoscale Research Letters |
| spelling | doaj.art-fda295baf9a1463ea3ac9a9e55d481a92023-09-03T05:42:14ZengSpringerOpenNanoscale Research Letters1931-75731556-276X2009-01-0145409413First-Principles Study of the Band Gap Structure of Oxygen-Passivated Silicon NanonetsLin LinhanLi DeXingFeng Jiayou<p>Abstract</p> <p>A net-like nanostructure of silicon named silicon nanonet was designed and oxygen atoms were used to passivate the dangling bonds. First-principles calculation based on density functional theory with the generalized gradient approximation (GGA) were carried out to investigate the energy band gap structure of this special structure. The calculation results show that the indirect–direct band gap transition occurs when the nanonets are properly designed. This band gap transition is dominated by the passivation bonds, porosities as well as pore array distributions. It is also proved that Si–O–Si is an effective passivation bond which can change the band gap structure of the nanonets. These results provide another way to achieve a practical silicon-based light source.</p>http://dx.doi.org/10.1007/s11671-009-9259-0Silicon nanonetsOxygen-passivatedFirst-principles calculationDirect band gapPorosityPore array distribution |
| spellingShingle | Lin Linhan Li DeXing Feng Jiayou First-Principles Study of the Band Gap Structure of Oxygen-Passivated Silicon Nanonets Nanoscale Research Letters Silicon nanonets Oxygen-passivated First-principles calculation Direct band gap Porosity Pore array distribution |
| title | First-Principles Study of the Band Gap Structure of Oxygen-Passivated Silicon Nanonets |
| title_full | First-Principles Study of the Band Gap Structure of Oxygen-Passivated Silicon Nanonets |
| title_fullStr | First-Principles Study of the Band Gap Structure of Oxygen-Passivated Silicon Nanonets |
| title_full_unstemmed | First-Principles Study of the Band Gap Structure of Oxygen-Passivated Silicon Nanonets |
| title_short | First-Principles Study of the Band Gap Structure of Oxygen-Passivated Silicon Nanonets |
| title_sort | first principles study of the band gap structure of oxygen passivated silicon nanonets |
| topic | Silicon nanonets Oxygen-passivated First-principles calculation Direct band gap Porosity Pore array distribution |
| url | http://dx.doi.org/10.1007/s11671-009-9259-0 |
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