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. 2015 May 1;6(7):3965–3974. doi: 10.1039/c5sc00789e

Table 1. Theoretical reactivity of the (0001) surface.

Energy (eV) Reaction a Mn2N Sr2N
ΔGvac graphic file with name c5sc00789e-t5.jpg 0.50 1.52
ΔGvac, bulk graphic file with name c5sc00789e-t6.jpg 0.82 1.88
ΔGads[H*] graphic file with name c5sc00789e-t7.jpg –0.79 –0.45
ΔGads[2H*] b 2* + H2 = 2H* –1.30 –1.10
ΔGads[H2O*] * + H2O = H2O* c –0.64
ΔGads[OH*] graphic file with name c5sc00789e-t8.jpg –1.47 –2.20
ΔGads[OH*, H*] 2* + H2O = OH* + H* –1.81 –2.73

aLat, s, and ss mark the lattice nitrogen, surface and subsurface.

bDissociative hydrogen adsorption at increased surface coverage of 1/2 ML H*.

cH2O dissociated to OH* and H*.