TY - JOUR AU - Martínez, José I. AU - Abad, Enrique AU - Beltrán Fínez, Juan Ignacio AU - Flores, Fernando PY - 2013 DO - 10.1063/1.4836635 SN - 0021-9606 UR - https://hdl.handle.net/20.500.14352/34780 T2 - Journal of chemical physics AB - The 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 transport... LA - eng PB - American Institute of Physics KW - Energy-level alignment KW - Density-functional-theory KW - Electronic-sctructure KW - Charging energy KW - Crystals KW - Approximation KW - Dipole KW - Metal KW - TCNQ KW - TTF. TI - Barrier height formation in organic blends/metal interfaces: case of tetrathiafulvalene-tetracyanoquinodimethane/Au TY - journal article VL - 139 ER -