Fig. 5: Operando Raman and SR-FTIR measurements along with DFT calculations for urea synthesis mechanism. | Nature Communications

Fig. 5: Operando Raman and SR-FTIR measurements along with DFT calculations for urea synthesis mechanism.

From: Stable Cuδ+ sites derived from analogous rectifying interface in AgCu biphasic aerogels for efficient urea electrosynthesis at low potential

Fig. 5

a Operando Raman spectroscopy curves of Ag67Cu33 during its electrochemical activation for different times. Infrared signals in the range of 1,000-2,200 cm-1 from -0.22 V to -0.62 V (b) and control experiments in different electrolytes at −0.52 V(c) obtained from operando SR-FTIR measurements during Ag67Cu33 electrolytic process (OCP was open circuit potential). d Bader charge for Ag(111)-Cu(111). The red color and the blue color respectively indicated charge accumulation and depletion (Arrow was used to indicate the transition from charge accumulation to depletion). e Free energy diagram of urea production on Ag(111)-Cu(111) (RDS was rate-determining step). f Charge density distributions of adsorbed *NOH on Ag(111)-Cu(111). The cyan and purple areas display the electron gain and loss, respectively (Isosurface = 0.005 e/Å3). The blue, red, yellow, green and white balls represent Cu, Ag, O, N, H atoms, respectively. Free energy diagram of CO2RR (g) and projected density of states (PDOS) of d orbitals (h) on Ag(111), Ag(111)-Cu(111) and Cu(111). Source data for Fig. 4 are provided as a Source Data file and Supplementary Data 1.

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