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. 2025 Aug 13;10(33):37974–37984. doi: 10.1021/acsomega.5c05129

2. Adsorption Energies (E ads), Minimum Interaction Distances (d), and Bader Charges (Q) for NO2 and SO2 on b­(g)-ZnCdO2 Structures.

system gas stable site Eads (eV) d (Å) Q (e)
b-ZnCdO2 NO2 H1 –1.63 2.72 –0.22
SO2 A3 –1.45 2.04 –0.17
g-ZnCdO2 NO2 H1 –1.88 2.58 –0.44
SO2 H1 –0.55 2.99 –0.12