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. 2017 May 26;3(5):e1602991. doi: 10.1126/sciadv.1602991

Fig. 2. No charge transfer from gold to molecule.

Fig. 2

(A and B) PDOS of Lys-MUA (A) and Lys-MUA-Au (B) solved using DFT (see Materials and Methods). Red dashed line indicates the Fermi level, which shifts to lower energy in the presence of gold. (C) Energy diagram near the Fermi level for Lys-MUA-Au. The HOMOs and LUMOs (lowest unoccupied molecular orbitals) are shown. The Fermi level (red dashed line) is 2.2 eV above HOMO state of MUA. (D and E) Electron density of HOMO for Lys-MUA (D) and Lys-MUA-Au (E).