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. 2022 May 18;15(14):e202200414. doi: 10.1002/cssc.202200414

Table 8.

Activation energies E a for forward and backward dimer and trimer self‐diffusion processes on Mg(101 1) calculated with Equation (2) (PBE).

Diffusion on Mg(101 1)

Path

Pathway

E a for [eV]

E a rev [eV]

dimer

merge

d0↔d1

0.25

0.58

d2↔d3

0.19

0.13

d3↔d1

0.15

0.51

d4↔d1

0.37

0.67

concerted

cd0↔cd1

0.54

0.54

trimer

merge

t0↔t1

0.26

0.58

t2↔t3

0.19

0.20

t3↔t1

0.27

0.54

t4↔t5

0.31

0.57

t5↔t1

0.24

0.28