Fig. 4 | Nature Communications

Fig. 4

From: Two-dimensional transition metal carbides as supports for tuning the chemistry of catalytic nanoparticles

Fig. 4

Catalytic performance and DFT calculation of Pt/MXene catalysts. a Plots of conversion vs. selectivity for propane dehydrogenation measured in 200 cm3 min−1 of 2.5% C3H8, 2.5% H2 balanced in N2 at 1.5 atm and 550 °C for Pt/Ti3C2Tx, Pt/Nb2CTx, and Pt/SiO2 catalyst. b Snapshots of optimized structures as numbered in c from side and top view angles (H* is not shown). c DFT-calculated free energy diagram of relevant (side-)reaction steps in propane dehydrogenation on Pt3Ti (111) and Pt (111) surfaces. The dotted lines denote the C–C cracking reactions of C3H6*, C3H5*, and C3H4*, generating CH2* + C2H4*, CH2* + C2H3*, and CH* + C2H3*, respectively. The dash-dot lines denote the further dehydrogenation of C3H6* to C3H5*, and C3H5* to C3H4*

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