Table 1 The comparison of predicted and reported C-H dissociation energy barriers.

From: Machine learning and DFT database for C-H dissociation on single-atom alloy surfaces in methane decomposition

Host Surface

Dopant

ΔEPredicted (eV)

ΔEReported (eV)

Source

Ni111

Ni

1.28

1.36

52

Ni111

Cu

1.83

1.63

53

Cu111

Cu

2.05

2.21

Pt111

Pt

1.37

1.54

54

Ir111

Ir

1.17

1.21

Rh111

Rh

1.15

1.08

55

Co110

Co

0.87

0.74

56

Pt100

Pt

1.15

1.28

57

Pt110

Au

1.29

1.32

Pt111

Hg

1.37

1.51

  1. ΔE represents the C-H dissociation energy barrier.
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