Table 1.

Properties of Au {1 1 1} and {1 0 0} surfaces in contact with water and peptide solutions, including the average position of the jellium edge z_Jel and of the first layer of solution atoms z_Sol relative to the first layer of metal atoms z_Sf, the polarization energy E_Pol per surface area, per water molecule and per amino acid of the peptides in contact with the metal surface assuming an image plane located at the jellium edge.

surface	zJel − zSf (Å)	zSol − zSfa (Å)	EPol per surface areaa (mJ m−2)	EPol per H2O (kJ mol−1)	EPol per amino acid (kJ mol−1)
Au {1 1 1}	1.1773	2.535 ± 0.005	−55 ± 5	−2.38 (1st layer); −0.13 (2nd layer)	−40 to ± 0 (avg. −8.4)
Au {1 0 0}	1.0196	2.299 ± 0.005	−60 ± 10	−2.18 (1st layer); −0.14 (2nd layer)	−29 to ± 0 (avg. n.a.)

^aAverage over all systems (water, A3, Flg-Na₃).