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CH4+2CH3+HCH3+CH2+HCH2+CH+HCH+C+HH2O+2HO+HHO+O+HC+OCO+COCO+2HH+2 1. Above is the energy diagram and the elementary steps for steam methane reforming as determined from DFT. The energy diagram shows the relative
CH4+2CH3+HCH3+CH2+HCH2+CH+HCH+C+HH2O+2HO+HHO+O+HC+OCO+COCO+2HH+2 1. Above is the energy diagram and the elementary steps for steam methane reforming as determined from DFT. The energy diagram shows the relative energies of the elementary steps on Ni (111) a surface with only terrace sites and Ni (211) a surface with steps and terrace sites. Please answer the following questions relating to the above data. a. Draw a 2D schematic of the surface of a (111) and (211) fcc Ni metal. b. Which surface, Ni (111) vs Ni (211) is more energetically favorable for the reaction? Explain your answer by discussing the differences in the energy landscape of the elementary steps from the figure above. c. Do you think step or kink sites from the Ni (211) surface participate in the reaction? Explain your
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