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

Table 10.

Calculated forward (for) and reversed (rev) activation energies (Ea ) for the investigated diffusion pathways at different outer‐corner systems on Na(110).[a]

Pathway

Eafor  [eV]

Earev  [eV]

OC 00OC 01

0.05

0.10

OC 00OC 02

0.14

0.02

OC 00OC 03

0.05

0.12

OC 10OC 11

0.00

0.07

OC 10OC 12

0.13

0.02

OC 10OC 13

0.04

0.04

OC 10OC 13 (Ex.)

0.06

0.06

OC 20OC 21

0.05

0.04

OC 20OC 22

0.20

0.00

OC 20OC 23

0.11

0.01

OC 20OC 24 (Ex.)

0.16

0.16

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