Fig. 3
From: In situ spectroscopy-guided engineering of rhodium single-atom catalysts for CO oxidation
Re-oxidation of the catalyst under oxygen atmosphere. a DFT-optimized structure of the intermediate of the catalyst under oxidative conditions. Atom colors: W (gray), O (red), C (black), Rh (blue). b best fit for the XANES simulation of the catalyst structure depicted in a. c Temperature dependence of the formation of CO2 during the treatment under O2 as determined by online mass spectrometry. d, e EXAFS analysis of structure a in d R and e k space. Curves from bottom to top are the experimental scattering contributions (black) superimposed with the total fitted scattering contributions, Rh–C, Rh–O (1st and 2nd shell) and Rh–W scatterings (all in red)
