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. 2024 Nov 1;10(44):eadp7833. doi: 10.1126/sciadv.adp7833

Table 1. Activation energies for polaron hopping, extracted from experimental data by KMC simulations.

The first four columns show activation energies for electron polaron hopping in nominally undoped and Ti-doped materials. The last column shows results for hole hopping in a Ni-doped sample.

Undoped 0.03% Ti 0.7% Ti 3% Ti 0.1% Ni (holes)
d = 0.3 nm, v0 = 1013 s−1 75 meV 54 meV 31 meV 22 meV 230 meV
d = 0.3 nm, v0 = 105 s−1 (unphysical) 43 meV 30 meV 15 meV 11 meV
d = 2.5 nm, v0 = 1013 s−1 79 meV 58 meV 33 meV 23 meV
d = 25 nm, v0 = 1013 s−1 90 meV 67 meV 38 meV 27 meV