Fig. 5 | Nature Communications

Fig. 5

From: Identifying the structure of Zn-N2 active sites and structural activation

Fig. 5

Theoretical and experimental investigations of oxygen species activation. a Molecular structure of gaseous O2. b, c O2 and OOH adsorption configurations on Zn-N2 active site. d O2 adsorption energy, O-O bond lengths of adsorbed O2 and OOH on Zn-N2 active site and Pt(111) surface. e Polarization curves of ZnNC with different Zn concentrations and Pt/C. Light yellow, blue, light purple, red and white ivory balls represent carbon, nitrogen, zinc, oxygen and hydrogen atoms, respectively

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