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. 2016 Jan 4;7:10235. doi: 10.1038/ncomms10235

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(a) Schematic representation of energy level alignments and bandgap modifications in organic/metal interfaces. DFT band-structure calculated enlarging the PPP-Cu(110) surface distance to 8 Å instead of 2.2 Å for the optimized structure (b), keeping the surface distance to 2.2 Å with (c) and without (d) Br atoms at surface. Red circles in the band-structure correspond to the projection on the first (molecular) layer with the same arbitrary threshold.