Tuning the Reactivity of Ultrathin Oxides: NO Adsorption on Monolayer FeO(111).
Lindsay R MerteChristopher J HeardFeng ZhangJuhee ChoiMikhail ShipilinJohan GustafsonJason F WeaverHenrik GrönbeckEdvin LundgrenPublished in: Angewandte Chemie (International ed. in English) (2016)
Ultrathin metal oxides exhibit unique chemical properties and show promise for applications in heterogeneous catalysis. Monolayer FeO films supported on metal surfaces show large differences in reactivity depending on the metal substrate, potentially enabling tuning of the catalytic properties of these materials. Nitric oxide (NO) adsorption is facile on silver-supported FeO, whereas a similar film grown on platinum is inert to NO under similar conditions. Ab initio calculations link this substrate-dependent behavior to steric hindrance caused by substrate-induced rumpling of the FeO surface, which is stronger for the platinum-supported film. Calculations show that the size of the activation barrier to adsorption caused by the rumpling is dictated by the strength of the metal-oxide interaction, offering a straightforward method for tailoring the adsorption properties of ultrathin films.
Keyphrases
- aqueous solution
- room temperature
- nitric oxide
- metal organic framework
- molecular dynamics
- density functional theory
- high efficiency
- reduced graphene oxide
- gold nanoparticles
- escherichia coli
- big data
- high glucose
- structural basis
- amino acid
- drug induced
- cystic fibrosis
- hydrogen peroxide
- oxidative stress
- nitric oxide synthase
- silver nanoparticles
- visible light