Fig. 5: DOS curves for d orbitals of Pd, Pt, and Ir atom. The d-band center was highlighted by a dotted line. | Nature Communications

Fig. 5: DOS curves for d orbitals of Pd, Pt, and Ir atom. The d-band center was highlighted by a dotted line.

From: Structure-dependence and metal-dependence on atomically dispersed Ir catalysts for efficient n-butane dehydrogenation

Fig. 5

a–e DOS curve was for Pd1@Gr, Pt1@Gr, Ir1@Gr, Pt3@Gr, and Ir13@Gr, respectively. The d-band center was −4.13, −4.09, −2.64, −2.14, and −1.45 eV, respectively. The structure of these models was also presented. The arrow in the upper left represents the trend of adsorption strength and C-H activation. The arrow in the right represents the trend of shifted rate-determining step.

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