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Volumn 114, Issue 40, 2010, Pages 17197-17204

Structural analysis and electronic properties of negatively charged TCNQ: 2D networks of (TCNQ)2Mn assembled on Cu(100)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLETE SYSTEM; COPPER SURFACE; CU SUBSTRATE; CU(1 0 0); DENSITY FUNCTIONAL THEORY CALCULATIONS; DIANIONS; HIGH SPIN STATE; LIGAND FIELD THEORY; MN ATOMS; MONOANIONS; SCANNING TUNNELING MICROSCOPY (STM); SUPRAMOLECULAR ASSEMBLIES; TETRACYANOQUINODIMETHANE; ULTRAHIGH VACUUM CONDITIONS;

EID: 77957870937     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp104954w     Document Type: Article
Times cited : (31)

References (41)
  • 36
    • 77957859023 scopus 로고    scopus 로고
    • Note the permutation of axes. In this text, the z axis is perpendicular to the molecular plane (xy). Conventionally, for the D 2 h group, z is the main axis of the TCNQ molecule and the axis perpendicular to the molecular plane is x.
    • Note the permutation of axes. In this text, the z axis is perpendicular to the molecular plane (xy). Conventionally, for the D 2 h group, z is the main axis of the TCNQ molecule and the axis perpendicular to the molecular plane is x.
  • 40
    • 77957871589 scopus 로고    scopus 로고
    • notes
    • We simulate STM images by using a new version of the GREEN code (ref 36), which is based on a Green's function representation and uses a fully ab initio description of both the sample and the tip (with the tunneling Hamiltonian and overlap matrix elements between the tip and the sample described by the Slater-Koster parameters fitted for the simulated system). In the simulation, a Pt tip with a pyramidal shape with the Pt(100) plane parallel to the surface is adopted.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.