Analyte

Analyte Orientation on Substrate Preferred Interaction between Substrate and Functional Group

Au Substrate

Au & Cu Substrates

Aniline

NH₂ interacts with Au

H_analyte − L_metal (1.55 eV)

NH₂ and ring π-bonds interact with Cu

H_analyte − L_metal

(2.29 eV)

2-Nitroaniline

NO₂ interacts with Au

H_analyte − L_metal

(2.25 eV)

NO₂ interacts with Cu

H_metal − L_analyte

(2.59 eV)

3-Nitroaniline

NO₂ interacts with Au

H_analyte − L_metal

(2.29 eV)

NH₂ and ring π-bonds interact with Cu

H_metal − L_analyte

(2.51 eV)

4-Nitroaniline

NO₂ interacts with Au

H_analyte − L_metal

(2.41 eV)

NH₂ and ring π-bonds interact with Cu

H_analyte − L_metal

(3.15 eV)

Nitrobenzene

NO₂ interacts with Au

H_analyte − L_metal

(3.73 eV)

*NO₂ interact with Au

H_analyte − L_metal

(4.47 eV)