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Volumn 4, Issue 1, 2004, Pages 55-59

Room Temperature Negative Differential Resistance through Individual Organic Molecules on Silicon Surfaces

Author keywords

[No Author keywords available]

Indexed keywords

2,2,6,6 TETRAMETHYL 1 PIPERIDINYLOXY; ORGANIC COMPOUND; PIPERIDINE DERIVATIVE; SILICON; STYRENE; UNCLASSIFIED DRUG;

EID: 0842330466     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl0348589     Document Type: Article
Times cited : (368)

References (31)
  • 2
    • 0035930578 scopus 로고    scopus 로고
    • Service, R. F. Science 2001, 294, 2442-2443.
    • (2001) Science , vol.294 , pp. 2442-2443
    • Service, R.F.1
  • 21
    • 0842298231 scopus 로고    scopus 로고
    • note
    • All calculations were carried out using HyperChem Release 7 (Hypercube, Inc., Gainesville, FL). The geometries of the individual TEMPO and styrene molecules were optimized at the level of B3LYP density functional theory using the polarized 6-31G* basis via the eigenvector following algorithm. The 4 x 4 x 1 Si(100) crystal was optimized using the MM+ molecular mechanics force field using the Polak-Ribiere conjugate-gradient algorithm. The 2 x 1 reconstruction was forced by allowing only the top layer of atoms to optimize their spacings after the original slab optimization. The resulting dimer spacing after MM optimization was 3.82 Å compared to a measured value of 3.85 Å. Hydrogen atoms were added to the periphery of the silicon slab to quench unpaired electrons. Styrene was bound to the most central dimer, while TEMPO was bound to the most central silicon atom. In both cases, the organic molecule and the silicon atoms to which each was bonded were allowed to relax to an energetic minimum via the MM+ force field and the PR algorithm.
  • 27
    • 0842341254 scopus 로고    scopus 로고
    • Rakshit, T.; Liang, G.-C.; Ghosh, A. W.; Datta, S. 2003, cond-mat/ 0305695
    • Rakshit, T.; Liang, G.-C.; Ghosh, A. W.; Datta, S. 2003, cond-mat/ 0305695.
  • 28
    • 0842341255 scopus 로고    scopus 로고
    • note
    • The exact location of the molecular orbital energy level with respect to the substrate Fermi level will be a function of the degree of charge transfer between the molecule and the substrate. Consequently, the difference in the molecular orbital spacing with respect to the Fermi level in Figures 3A and 3D can be justified by assuming that the charge transfer depends on the substrate doping type.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.