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Reaction scheme in kinetic Monte Carlo dynamics and rate coefficient.
| Reaction | Rate Coefficient (S−1) |
|---|---|
| MoS2 + H2O = MoS2-H2O | 4.84 ×107 |
| MoS2-H2O = MoS2 + H2O | 3.62 × 1010 |
| MoS2-H2O = MoS2-OH + H | 2.8 × 1010 |
| MoS2-OH + H = MoS2-H2O | 2.9 × 1011 |
| 2H-MoS2 = MoS2 + H2 | 2.38 × 108 |
| MoS2 + H2 = 2H-MoS2 | 1.20 × 108 |
