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| Surface | E(O2)/eV | E(OPT model)/eV | E(adsorption model)/eV | ΔQ/eV |
|---|---|---|---|---|
| (101) | −867.78 | −6708.15 | −7579.32 | −3.39 |
| (110) | −867.78 | −6742.18 | −7610.28 | −0.32 |
| (310) | −867.78 | −6707.03 | −7577.81 | −3 |
| (321) | −867.78 | −6703.5 | −7574.21 | −2.93 |
| Cr(OH)3 bulk | −867.78 | −20250.68 | −21131.65 | −13.19 |
