Theoretical Study on Carbon Monoxide Adsorption on Unsupported and γ-Al₂O₃-Supported Silver Nanoparticles: Size, Shape, and Support Effects.

ABSTRACT: Nanoparticles (NPs) supported on metal oxides exhibit high catalytic activities for various reactions. The shape and oxidation state of such NPs, which are related to the catalytic activity, are often determined by the support. Herein, we conducted a density functional theory study on isolated silver (Ag) NPs and two types of Ag-NPs supported on gamma-aluminum oxide (γ-Al₂O₃). First, carbon monoxide (CO) adsorption on the isolated Ag NPs was investigated for decahedra (D _5h ), icosahedra (I _h ), and cuboctahedra (O _h ) of various sizes. I _h and O _h NPs showed moderate size dependence, whereas D _5h NPs showed high size de

SUBMITTER: Sawabe K 

PROVIDER: S-EPMC8829952 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature