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- W2911248918 endingPage "5871" @default.
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- W2911248918 abstract "DFT calculations are performed to investigate the water oxidation reaction intermediates on Ag2M (M = Fe, Co, Ni, Cu), and Pt3 clusters in alkaline media both in the gas and solution (water) phases in the neutral and charged states. The calculated results revealed that the neutral and anionic clusters were found to be more suitable catalysts than cationic clusters because of weakly bonded water oxidation reaction intermediates. In addition, the calculated structural parameters of the water oxidation intermediates with Ag2M (M = Fe, Co, Ni, Cu) clusters revealed that M-OH bond strengths are found to be in the order of Cu < Ni < Co < Fe. Conclusively, Ag2Cu cluster was determined to be the best electrocatalyst regarding oxygen evolution reaction via 4e transfer, which is consistent with results on larger Ag2M clusters (13 atoms) and periodic Ag-M nanoalloys due to weaker binding energies of the water oxidation intermediates." @default.
- W2911248918 created "2019-02-21" @default.
- W2911248918 creator A5007054443 @default.
- W2911248918 creator A5057681381 @default.
- W2911248918 creator A5059776684 @default.
- W2911248918 date "2019-03-01" @default.
- W2911248918 modified "2023-09-25" @default.
- W2911248918 title "Electrocatalytic property of water oxidation reaction depends on charging state of intermediates on Ag-M (M = Fe, co, Ni, Cu) in alkaline media" @default.
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- W2911248918 doi "https://doi.org/10.1016/j.ijhydene.2019.01.018" @default.
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