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Advanced Materials
Volumn 22, Issue 23, 2010, Pages 2494-2513
Modeling the electronic properties of π-conjugated self-assembled monolayers
Author keywords

[No Author keywords available]
Indexed keywords

CHEMICAL ANCHORING; CHEMICAL STRUCTURE; CONDUCTING STATE; ELECTRODE SURFACES; ELECTRONIC CHARACTERISTICS; INTERFACE MODIFICATION; KEY PARAMETERS; METAL ELECTRODES; MOLECULAR ELECTRONIC DEVICE; ORGANIC SEMICONDUCTOR; PACKING DENSITY; QUANTUM MECHANICAL; QUANTUM-MECHANICAL CALCULATION; RECENT PROGRESS; SAMS; STRUCTURE PROPERTY RELATION;
EID: 77954247724     PISSN: 09359648     EISSN: 15214095     Source Type: Journal    
DOI: 10.1002/adma.200903855     Document Type: Article
Times cited : (126)
References (257)
  • 41
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    • (Eds: A. Aviram, M. Ratner) Ann. N.Y.Acad. Sci, The New York Academy of Sciences, New York
    • Molecular Electronics: Science and Technology (Eds: A. Aviram, M. Ratner) Ann. N.Y.Acad. Sci, Vol. 852, The New York Academy of Sciences, New York 1998.
    • (1998) Molecular Electronics: Science and Technology , vol.852
  • 67
    • 79951686531 scopus 로고    scopus 로고
    • Of course, such a monolayer does not actually exist, but its properties are crucial for understanding the electronic structure of an actual SAM
    • Of course, such a monolayer does not actually exist, but its properties are crucial for understanding the electronic structure of an actual SAM.
  • 77
    • 79951710058 scopus 로고    scopus 로고
    • eff on the packing density when directly applying Equation (2) as shown in Reference [70]
    • eff on the packing density when directly applying Equation (2) as shown in Reference [70].
  • 81
    • 79951714792 scopus 로고    scopus 로고
    • The actual SAM forming process of dynamic adsorption, desorption, migration and rearrangement of molecules in solution or in vacuum is of course different, but the used conceptual description provides significantly more fundamental insight into the SAM-electronics
    • The actual SAM forming process of dynamic adsorption, desorption, migration and rearrangement of molecules in solution or in vacuum is of course different, but the used conceptual description provides significantly more fundamental insight into the SAM-electronics.
  • 87
    • 79951692320 scopus 로고    scopus 로고
    • 2 would have to be considered. Instead, ρ- is necessary to describe what happens in a gedankenexperiment when for the whole SAM the S-H bonds are replaced by S-Au bonds
    • 2 would have to be considered. Instead, ρ- is necessary to describe what happens in a gedankenexperiment when for the whole SAM the S-H bonds are replaced by S-Au bonds.
  • 150
    • 79951696177 scopus 로고    scopus 로고
    • While the interfacial charge rearrangements upon SAM adsorption are actually a series of small consecutive dipoles, an equivalent single dipole can, in principle, be determined through Equation (1) that gives rise to a potential-energy step of the same magnitude as BD (see Reference [149])
    • While the interfacial charge rearrangements upon SAM adsorption are actually a series of small consecutive dipoles, an equivalent single dipole can, in principle, be determined through Equation (1) that gives rise to a potential-energy step of the same magnitude as BD (see Reference [149]).
  • 152
    • 84878281733 scopus 로고    scopus 로고
    • This can be inferred, for example, by massive changes of the 'right' ionization potentials of the nonbonded SAMs compared to the bonded ones; compare: in press
    • This can be inferred, for example, by massive changes of the "right" ionization potentials of the nonbonded SAMs compared to the bonded ones; compare: L. J. Wang, G. M. Rangger, Z. Y. Ma, Q. K. Li, Z. Shuai, E. Zojer, G. Heimel, Phys. Chem. Chem. Phys., in press.
    • Phys. Chem. Chem. Phys.
    • Wang, L.J.1    Rangger, G.M.2    Ma, Z.Y.3    Li, Q.K.4    Shuai, Z.5    Zojer, E.6    Heimel, G.7
  • 175
    • 79951688045 scopus 로고    scopus 로고
    • What actually matters is the 'local' polarizability of the head-group substituent and the adjacent part of the molecular backbone (see Fig. 4), underlining again the need for introducing finite-size effects into the Topping model [70]
    • What actually matters is the "local" polarizability of the head-group substituent and the adjacent part of the molecular backbone (see Fig. 4), underlining again the need for introducing finite-size effects into the Topping model [70].
  • 176
    • 79951686357 scopus 로고    scopus 로고
    • The resulting negative work function would, however, not actually be possible
    • The resulting negative work function would, however, not actually be possible.
  • 178
    • 79951684019 scopus 로고    scopus 로고
    • The qualitative conclusions do not change independent of whether one is performing the calculations in a spin polarized or nonpolarized manner as discussed in the Supporting Information section of Reference [174]
    • The qualitative conclusions do not change independent of whether one is performing the calculations in a spin polarized or nonpolarized manner as discussed in the Supporting Information section of Reference [174].
  • 226
  • 247
    • 79951712307 scopus 로고    scopus 로고
    • In fact, for the -CN terminated SAMs, pinning of the LUMO-derived band of 2P occurs at the HOPS of the SAM, but at an entirely different energy; see Reference [234] for details
    • In fact, for the -CN terminated SAMs, pinning of the LUMO-derived band of 2P occurs at the HOPS of the SAM, but at an entirely different energy; see Reference [234] for details.

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.