Table 7.
Calculated forward (for) and reversed (rev) activation energies ( ) for the different diffusion pathways of a surface dimer on Na(110).[a]
|
Pathway |
[eV] |
[eV] |
|---|---|---|
|
D 00↔D 01 |
0.03 |
0.02 |
|
D 00↔D 02 |
0.15 |
0.01 |
|
D 00↔D 03 |
0.13 |
0.00 |
|
D 10↔D 11 |
0.04 |
0.00 |
|
D 10↔D 12 |
0.10 |
0.02 |
|
D 10↔D 13 |
0.14 |
0.01 |
[a] All values were calculated by means of DFT‐PBE.