메뉴 건너뛰기




Volumn 19, Issue 23, 2009, Pages 3766-3775

Electronic structure of self-assembled monolayers on Au(111) surfaces: The impact of backbone polarizability

Author keywords

[No Author keywords available]

Indexed keywords

AU(1 1 1 ); AU(111) SURFACES; CONDUCTING STATE; ELECTRONIC PARAMETERS; FERMI LEVEL PINNING; METAL ELECTRODES; MOLECULAR DIPOLE MOMENT; ORGANIC INTERFACES; ORGANIC THIOLS; POLAR HEAD; POLARIZABILITIES; SAMS; SELF-ASSEMBLED; STRUCTURE PROPERTY RELATIONSHIPS; THEORETICAL BASIS;

EID: 72649096403     PISSN: 1616301X     EISSN: 16163028     Source Type: Journal    
DOI: 10.1002/adfm.200901152     Document Type: Article
Times cited : (36)

References (60)
  • 24
    • 72649086190 scopus 로고    scopus 로고
    • The 4′ position of the biphenyl-thiolate is the "easily accessible" end that points away from the metal
    • The 4′ position of the biphenyl-thiolate is the "easily accessible" end that points away from the metal.
  • 42
    • 72649084136 scopus 로고    scopus 로고
    • note
    • 2).
  • 45
    • 72649097227 scopus 로고    scopus 로고
    • note
    • The exact energy at which the HOPS becomes pinned is somewhat influenced by the applied broadening factors in the Methfessel-Paxton occupation scheme. The error of HOPS pinning position is, however, expected to be within 0.05 eV (see test calculations described in the Supporting Information).
  • 50
    • 72649107029 scopus 로고    scopus 로고
    • note
    • In those calculations, the geometries at reduced coverage are not reoptimized because this i) would overstretch the limits of present computational capacities and ii) is not useful for the points discussed here as the main change in geometry would be a severe increase of the tilt angle.
  • 51
    • 72649106898 scopus 로고    scopus 로고
    • This factor is 4.0 in the literature [23] as Cartesian-coordinate optimized geometries have been used. As the internal-coordinate optimization mainly affects the tilt angle, this influences the depolarization strength
    • This factor is 4.0 in the literature [23] as Cartesian-coordinate optimized geometries have been used. As the internal-coordinate optimization mainly affects the tilt angle, this influences the depolarization strength.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.