Table 1 Helicene-induced changes to the attachment of Au atom(s) to different sites of the step

From: Tailoring atomic layer growth at the liquid-metal interface

 

Δd1 (Å)

Δd2 (Å)

ΔEn (meV)

ΔEn+m (meV)

ΔEn+m − ΔEm − ΔEn (meV)

I

0.010

0.001

−7

–

–

II

0.017

0

−43

–

–

III

−0.056

−0.001

15

–

–

IV

−0.013

0.008

−2

–

–

V

−0.003

0.121

−60

–

–

VI

−0.002

0.009

−1

–

–

II + III

−0.047

−0.003

–

−40

−12

IV + V

−0.011

0.096

–

−95

−33

III + IV

0.008

0.049

–

−46

−59

II + V

0.064

0.153

–

−197

−94

  1. n, m = I, II, III…VI, n ≠ m
  2. Δd1 = \(d_1^\prime\) − d1; Δd2 = \(d_2^\prime\) − d2; Ebind = − (ENAu·step − ENAu − Estep); ΔEn = \(E_{\mathrm{bind}}^\prime\) − Ebind
  3. ENAu, Estep and ENAu·step refer to the energy of N (N = 1, 2) Au atom(s), the step and the step that is decorated with N Au atom(s). \(d_1^\prime\), \(d_2^\prime\) and \(E_{\mathrm{bind}}^\prime\) are the calculated results in the presence of adsorbed helicene
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