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. 2020 Jan 21;13(4):771–783. doi: 10.1002/cssc.201902860

Table 7.

Calculated forward (for) and reversed (rev) activation energies (Ea ) for the different diffusion pathways of a surface dimer on Na(110).[a]

Pathway

Eafor  [eV]

Earev  [eV]

D 00D 01

0.03

0.02

D 00D 02

0.15

0.01

D 00D 03

0.13

0.00

D 10D 11

0.04

0.00

D 10D 12

0.10

0.02

D 10D 13

0.14

0.01

[a] All values were calculated by means of DFT‐PBE.