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. 2021 Mar 5;11(16):9721–9730. doi: 10.1039/d1ra00642h

Calculated E, r and D parameters for the bulk and (001) surface structures of Li2MnSiO4.

Pathway a (Å) E b (eV) r (s−1) D (cm2 s−1)
Bulk AB 3.13 0.73 4.50 × 10−7 4.40 × 10−15
BC 3.13 0.84 6.0 × 10−9 6.10 × 10−17
AE 3.19 0.74 3.50 × 10−7 3.10 × 10−15
EF 3.18 0.88 1.00 × 10−9 1.30 × 10−17
AG 3.13 0.73 4.51 × 10−7 4.40 × 10−15
GH 4.41 1.88 1.60 × 10−19 3.10 × 10−34
(001) surface AB (XY) 4.44 0.06 1.09 × 1012 2.14 × 10−3
BC (X) 3.14 0.25 5.90 × 108 5.83 × 10−7
BD (Y) 2.94 0.39 2.09 × 106 1.81 × 10−9
AE (Z) 2.99 0.22 1.90 × 109 1.71 × 10−6