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Volumn 78, Issue 23, 2008, Pages

First-principles approach to monitoring the band gap and magnetic state of a graphene nanoribbon via its vacancies

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EID: 59049096187     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.235435     Document Type: Article
Times cited : (137)

References (33)
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    • As shown by the recent work based on self-energy corrections [10.1103/PhysRevLett.99.186801
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    • (2007) Phys. Rev. Lett. , vol.99 , pp. 186801
    • Yang, L.1    Park, C.H.2    Son, Y.-W.3    Cohen, M.L.4    Louie, S.G.5
  • 31
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    • Using the definition of Schottky defect, we calculated the formation energy of relaxed vacancy of single carbon atom in AGNR(34) to be 7.79 eV. This value is smaller than the binding energy of a carbon atom in the graphene, which is calculated to be 9.23. However, owing to the concerted process the vacancy formation energy may be smaller than 7.79 eV.
    • Using the definition of Schottky defect, we calculated the formation energy of relaxed vacancy of single carbon atom in AGNR(34) to be 7.79 eV. This value is smaller than the binding energy of a carbon atom in the graphene, which is calculated to be 9.23. However, owing to the concerted process the vacancy formation energy may be smaller than 7.79 eV.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.