Study on the Energy Band Regulation of the H-BN Doped Graphene Nanoribbons Based on First Principles
In the present paper, several programs of graphene nanoribbons band gap engineering are simulated and calculated based on the first principles which will be helpful in the experimental progress of graphene energy band regulation. Secondly, we doped hexagonal boron nitride (h-BN) into graphene nanori...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
AIDIC Servizi S.r.l.
2017-07-01
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| Series: | Chemical Engineering Transactions |
| Online Access: | https://www.cetjournal.it/index.php/cet/article/view/1121 |
| _version_ | 1818945290377363456 |
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| author | Yunpei Wu Yongjin Hu |
| author_facet | Yunpei Wu Yongjin Hu |
| author_sort | Yunpei Wu |
| collection | DOAJ |
| description | In the present paper, several programs of graphene nanoribbons band gap engineering are simulated and calculated based on the first principles which will be helpful in the experimental progress of graphene energy band regulation. Secondly, we doped hexagonal boron nitride (h-BN) into graphene nanoribbons in the form of super-lattice structure. The results showed that the band gap of super-lattices nanoribbons with zigzag edges or armchair edges becomes larger with increasing BN component. We can regulate the band gap of graphene nanoribbons in the range of 0~2.5 eV in this way, such wide adjusting range will be able to meet the vast majority of the band gap requirements in semiconductor industry. |
| first_indexed | 2024-12-20T07:56:46Z |
| format | Article |
| id | doaj.art-f45f046366654e92bc4483741923db3b |
| institution | Directory Open Access Journal |
| issn | 2283-9216 |
| language | English |
| last_indexed | 2024-12-20T07:56:46Z |
| publishDate | 2017-07-01 |
| publisher | AIDIC Servizi S.r.l. |
| record_format | Article |
| series | Chemical Engineering Transactions |
| spelling | doaj.art-f45f046366654e92bc4483741923db3b2022-12-21T19:47:40ZengAIDIC Servizi S.r.l.Chemical Engineering Transactions2283-92162017-07-015910.3303/CET1759055Study on the Energy Band Regulation of the H-BN Doped Graphene Nanoribbons Based on First PrinciplesYunpei WuYongjin HuIn the present paper, several programs of graphene nanoribbons band gap engineering are simulated and calculated based on the first principles which will be helpful in the experimental progress of graphene energy band regulation. Secondly, we doped hexagonal boron nitride (h-BN) into graphene nanoribbons in the form of super-lattice structure. The results showed that the band gap of super-lattices nanoribbons with zigzag edges or armchair edges becomes larger with increasing BN component. We can regulate the band gap of graphene nanoribbons in the range of 0~2.5 eV in this way, such wide adjusting range will be able to meet the vast majority of the band gap requirements in semiconductor industry.https://www.cetjournal.it/index.php/cet/article/view/1121 |
| spellingShingle | Yunpei Wu Yongjin Hu Study on the Energy Band Regulation of the H-BN Doped Graphene Nanoribbons Based on First Principles Chemical Engineering Transactions |
| title | Study on the Energy Band Regulation of the H-BN Doped Graphene Nanoribbons Based on First Principles |
| title_full | Study on the Energy Band Regulation of the H-BN Doped Graphene Nanoribbons Based on First Principles |
| title_fullStr | Study on the Energy Band Regulation of the H-BN Doped Graphene Nanoribbons Based on First Principles |
| title_full_unstemmed | Study on the Energy Band Regulation of the H-BN Doped Graphene Nanoribbons Based on First Principles |
| title_short | Study on the Energy Band Regulation of the H-BN Doped Graphene Nanoribbons Based on First Principles |
| title_sort | study on the energy band regulation of the h bn doped graphene nanoribbons based on first principles |
| url | https://www.cetjournal.it/index.php/cet/article/view/1121 |
| work_keys_str_mv | AT yunpeiwu studyontheenergybandregulationofthehbndopedgraphenenanoribbonsbasedonfirstprinciples AT yongjinhu studyontheenergybandregulationofthehbndopedgraphenenanoribbonsbasedonfirstprinciples |