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. 2022 Jun 8;13:3188. doi: 10.1038/s41467-022-30536-9

Fig. 5. Identification of catalytic active sites.

Fig. 5

a Adsorption configurations (side and top views) of 4-NS on Ni(111) and RuNi SAA(111) surface, with the labeled bond length of N−O1 (L(N−O1)) and adsorption energies of 4-NS (Eads). Ru, violet; Ni, green; C, orange; O, red; N, blue; H, white. b In situ FT-IR spectra of gaseous and chemically adsorbed 4-NS on monometallic Ni, Ru, RuNi SAA (0.4 wt.%) and 2 wt.% RuNi, respectively. c In situ normalized XANES and d phase correction EXAFS Fourier–transform spectra at Ru K–edge of 0.4 wt.% RuNi SAA under 4-NS adsorption (RuNi SAA–4NS), and hydrogenation reaction stages (RuNi SAA–4NS–H2). e Projected density of states (PDOS) for pristine RuNi SAA(111) surface, N–O1 in gaseous 4-NS, and adsorbed 4-NS over RuNi SAA(111). ‘a. u.’ denotes arbitrary units.