adsorbed system

Gs/Os-GS/W-GS

H2

GS/W-GS/Os-GS

ΔEads

H2@GS

−923.073

−1.175

−921.898

−0.030

H2@Os-GS

−975.870

−1.175

−974.681

−8.369

H2@W-GS

−952.611

−1.175

−951.379

−1.537