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- W2908985772 abstract "Abstract The basic unsettled problem of CO poisoning of platinum catalyst is addressed with the introduction of single dopant atoms on small cationic platinum clusters. Here, ‘Rh’, ‘Ru’ and ‘Sn’ doped on Ptn+ (n = 3 and 4) clusters are investigated under three DFT functional (MN12-SX, M06-D3 and TPSSh) using def2TZVPP basis set. Our findings reveal a notable amount of reduction of adsorption energy equal to 0.3 eV for dopant Sn over dopant Ru and Rh in Pt3+ cluster with MN12-SX functional. Thus, the promotional effect of Sn on Pt catalyst could be a suitable system for improved CO tolerance." @default.
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- W2908985772 date "2019-02-01" @default.
- W2908985772 modified "2023-09-27" @default.
- W2908985772 title "Effect of single metal dopant (Rh, Ru and Sn) on Pt+ (n = 3 and 4) clusters for controlled CO tolerance" @default.
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- W2908985772 doi "https://doi.org/10.1016/j.cplett.2019.01.020" @default.
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