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Martínez, José I. ; Abad, Enrique ; Beltrán Finez, Juan Ignacio ; Flores, Fernando | American Institute of Physics | 2013-12-07The interface between the tetrathiafulvalene/tetracyanoquinodimethane (TTF-TCNQ) organic blend and the Au(111) metal surface is analyzed by Density Functional Theory calculations, including the effect of the charging energies on the molecule tra[...]texto impreso
Beltrán Finez, Juan Ignacio ; Flores, Fernando ; Martínez, José I. ; Ortega, José | Amer Chemical Soc | 2013-02-28The energy level alignment of the two organic materials forming the TTF-TCNQ interface is analyzed by means of a local orbital DFT calculation, including an appropriate correction for the transport energy gaps associated with both materials. The[...]
