Table 2 Adsorption of tetrachloropyrazine on metal surfaces.

From: Molecular switches from benzene derivatives adsorbed on metal surfaces

Metals

On-state

Off-state

 

E ad

d CM

E ad

d CM

Cu

—

—

1.04

3.12

Ag

—

—

0.99

3.18

Au

—

—

0.81

3.31

Rh

2.61

2.05

—

—

Pd

2.72

2.06

1.17

3.03

Ir

1.71

2.09

0.73

3.16

Pt

0.98

2.08

0.88

3.14

  1. Adsorption energies Ead (eV) and average perpendicular heights dCM (Å) for tetrachloropyrazine (C4N2Cl4) fully relaxed in the on and off states on the (111) surfaces of Cu, Ag, Au, Rh, Pd, Ir and Pt.
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