| 학회 |
한국화학공학회 |
| 학술대회 |
2015년 가을 (10/21 ~ 10/23, 일산 KINTEX) |
| 권호 |
21권 2호, p.2031 |
| 발표분야 |
재료 |
| 제목 |
Structural and electronic properties of hydrogenated sp3 multilayer graphene |
| 초록 |
We studied how multilayer graphene can undergo transformation into sp3 bonded structure using the density functional theory calculation. Hydrogenation of multilayer graphene at top and bottom layer induces sp2 to sp3 transition. Hydrogenated surface reduces the transition barrier of sp3 multilayer graphene due to low stability of hydrogen passivated graphene layer caused by unpaired electron. The transformation occurred depending on the number of graphene layers and hydrogen coverage. As number of layer is lower and hydrogen coverage is higher, the transformation into sp3 multilayer graphene becomes easier. Electronic and mechanical properties of sp3 multilayer graphene were also obtained by varying the number of layers and stacking structure of sp3 multilayer graphene. We found that sp3 bonded structure induced from multilayer graphene can have tunable band gap and Young’s modulus, which reveals their potential usage for the electronic devices. |
| 저자 |
곽상규1, Rodney S. Ruoff2, Christopher W. Bielawski2, 황대연1
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| 소속 |
1울산과학기술대, 2기초과학(연) |
| 키워드 |
carbon allotrope; graphene; diamond film; density functional theory
|
| E-Mail |
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| VOD |
VOD 보기 |
| 원문파일 |
초록 보기 |
