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Molecular adsorption of formaldehyde on the stoichiometric CeO 2 (111) and CeO 2 (110) surfaces was studied using periodic density functional theory. Two adsorption modes (strong chemisorbed and weak physisorbed) were identified on both surfaces. This is consistent with recent experimental observations. On the (111) surface, formaldehyde strongly chemisorbs with an adsorption energy...
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