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Volumn 92, Issue 22, 2004, Pages

Hallmark of perfect graphene

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL BONDS; CHEMISORPTION; COMPUTER SIMULATION; ELECTRON DENSITY MEASUREMENT; ELECTRONIC STRUCTURE; HYDROGEN; NANOTECHNOLOGY; NANOTUBES; POLARIZATION; PROBABILITY DENSITY FUNCTION; SCANNING TUNNELING MICROSCOPY; THERMODYNAMICS;

EID: 3042791264     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.92.225502     Document Type: Article
Times cited : (541)

References (18)
  • 4
    • 85032427278 scopus 로고    scopus 로고
    • note
    • By intrinsic we mean changes in bonding that disrupt the hexagonal structure. We do not consider vacancies, adatoms, etc.
  • 13
    • 85032425874 scopus 로고    scopus 로고
    • note
    • A zero-point correction of 0.26 eV applies for molecular hydrogen; in considering adsorption we have neglected zero-point energies since the formation of two CH bonds largely offsets the loss of one H-H bond.
  • 14
    • 85032429614 scopus 로고    scopus 로고
    • note
    • With a doubled supercell we have checked the difference between ferromagnetic and antiferromagnetic order, the former being favored by 0.08 eV.
  • 16
    • 85032428671 scopus 로고    scopus 로고
    • note
    • This calculation gives a strong indication that the gap state would remain in the gap if self-interaction corrections were applied.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.