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. 2021 Jan 29;11(10):5466–5478. doi: 10.1039/d0ra05127f

Optimized bond length d (in Å) for the N3CH2S− adsorption on ZnO(101̄0). The atomic labels refer to Fig. 3.

Parameters Site-2 Site-4
d Zn–S 2.31 2.36; 2.84
d Zn–O1 1.96 1.93
d Zn–O2 1.87 1.87
d Zn–O 1.87 1.87
d Zn–O1/dZn–O 1.05 1.03
d Zn–O2/dZn–O 1.00 1.00