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The interaction of methanol with a clean <I 10) ruthenium surface has been studied using temperature programmed desorption methods. Methanol dissociates upon adsorption at 300 K and yields Ha(g) and chemisorbed CO as the domiwt products. Randomization of evolved hydrogen was shown to occur during methanol adsorption and also upon subsequent thermal desorption using isotopically labeled methanol, CHsOD. In addition to hydrogen and CO, small amounts of HzCO, CHaOH, CO2, and H20, are aIso observed upon thermal desorption. In contrast with a previous study of formaldehyde on Ru(1 lo), no detectable CH4 product is found upon methanol desorptioa
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We investigate the interaction of small polar molecules such as water and methanol with a low-aluminum sodalite using first principles density functional molecular dynamics calculations and the projector augmented wave method. Whereas in the low coverage limit methanol is unprotonated, we find that