Fig. 1: Structural characterization of Au25 clusterzymes.

a Structure illustration of Au25 and Cu- and Cd-substituted Au24Cu1 and Au24Cd1. b UV-vis absorption spectra and c electrospray ionization mass spectra (in negative ion mode) of Au25 (black curve) before and after Cu (green curve) and Cd (red curve) substitutions. The inset in b is a magnification of the absorption spectrum at ~670 nm. It can be seen that the characteristic absorption is slightly redshifted after introduction of Cu and Cd, indicating decreased band gaps. The red line of the insets in c represents the simulated isotope distribution of [Au25MPA18-3H]3−, [Au24Cu1MPA18-3H]3−, and [Au24Cd1MPA18-3H]3−, respectively. Exp. experiment, Calc. calculated. d Cu K-edge and e Cd L3-edge FT-EXAFS spectra and associated fitting in R space of Au24Cu1 and Au24Cd1, showing the surrounding atoms adjacent to the Cu and Cd atoms.