H O N H2 H2O N2 O2 1073.15 101325.0 H2:0.95, H2O:0.05 E electron 1073.15 electron:1.0 9.0 O E Ox VO** 1073.15 101325.0 Ox:0.95 VO**:0.05 0.7 H O (m) H(m) O(m) OH(m) H2O(m) 973.0 (m):0.5 H(m):0.5 2.6e-09 gas O H E (ox) O''(ox) OH'(ox) H2O(ox) 1073.15 O''(ox):2.0, (ox):0.0 2e-09 gas oxide_bulk H O (tpb) 1073.15 (tpb):1.0 5e-17 metal metal_surface oxide_surface E:1 -1 298.15 0.0 0.0 0.0 298.15 0.0 0.0 0.0 0.0018 E:2 O:1 -2 298.15 -170.0 50.0 0.0 0.0018 298.15 0.0 0.0 0.0 H:1 298.15 -35.0 37.0 0.0 O:1 298.15 -220.0 37.0 0.0 H:1 O:1 298.15 -198.0 102.0 0.0 H:2 O:1 298.15 -281.0 123.0 0.0 E:2 O:1 -2 298.15 -170.0 50.0 0.0 H:1 E:1 O:1 -1 298.15 -220.0 87.0 0.0 298.15 0.0 0.0 0.0 H:2 O:1 298.15 -265.0 98.0 0.0 298.15 0.0 0.0 0.0 H2 + (m) + (m) [=] H(m) + H(m) 1.000000E-01 0 0.000000 H2:1.0 (m):2 H(m):2.0 O2 + (m) + (m) [=] O(m) + O(m) 1.000000E-01 0 0.000000 O2:1.0 (m):2 O(m):2.0 H2O + (m) [=] H2O(m) 1.000000E+00 0 0.000000 H2O:1.0 (m):1 H2O(m):1.0 H(m) + O(m) [=] OH(m) + (m) 5.000000E+21 0 100.000000 H(m):1.0 O(m):1 OH(m):1.0 (m):1 H(m) + OH(m) [=] H2O(m) + (m) 5.000000E+19 0 40.000000 H(m):1.0 OH(m):1 H2O(m):1.0 (m):1 OH(m) + OH(m) [=] H2O(m) + O(m) 5.000000E+20 0 100.000000 OH(m):2.0 H2O(m):1.0 O(m):1 (ox) + Ox [=] VO** + O''(ox) 5.000000E+05 0.0 0.000000 (ox):1.0 Ox:1 O''(ox):1 VO**:1.0 H2O(ox) [=] H2O + (ox) 1.000000E+14 0.0 0.000000 H2O(ox):1.0 H2O:1.0 (ox):1 H2O(ox) + O''(ox) [=] OH'(ox) + OH'(ox) 1.000000E+13 0.0 0.000000 H2O(ox):1.0 O''(ox):1 OH'(ox):2.0 H(m) + O''(ox) [=] (m) + electron + OH'(ox) 5.000000E+10 0.0 120.000000 O''(ox):1 H(m):1.0 OH'(ox):1 electron:1 (m):1.0 O(m) + (ox) + 2 electron [=] (m) + O''(ox) 5.000000E+10 0.0 120.000000 (ox):1 O(m):1.0 electron:2.0 O''(ox):1 (m):1.0