Fig. 5 | Nature Communications

Fig. 5

From: Microkinetics of alcohol reforming for H2 production from a FAIR density functional theory database

Fig. 5

Hydrogen production rate during decomposition and reforming. a DD, ATR, SR, and APR of ethanol and b ethylene glycol on Cu, Ru, Pd, and Pt. c Corresponding values for glycerol on Ru. The crosses show the result from MK-DFT, columns from MK-LSR, and dots from the MK-L1O method. White columns stand for reaction conditions where the oxygen content could change the existing catalytic phase. The surface coverages obtained with MK-DFT are shown on panels d - f

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