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- W3217048006 endingPage "152021" @default.
- W3217048006 startingPage "152021" @default.
- W3217048006 abstract "The exploration of electrocatalysts with high performance of hydrogen evolution reaction (HER) in all media is essential for developing clean energies. Single-atom catalysts (SACs) have attracted wide attentions owing to their maximum atom utilization and excellent catalytic activity. In this work, the HER activities of transition metal (TM) (TM = Fe, Co, Ni and Cu) SACs on two-dimensional SnO monolayer are studied using density functional theory. We found that the low-cost TM SACs can exhibit high HER activity in wide pH-range. Especially, Co SACs show promising catalytic activity with the Gibbs free energy of hydrogen adsorption (ΔGH∗) as low as ∼ 0.015 eV, which are also high active in either acidic or alkaline environments. With the experimentally inevitable oxygen vacancies in SnO, the ΔGH∗ of Co, Ni and Cu SACs are almost zero, which are competitive with the precious catalyst Pt(1 1 1) (-0.09 eV). The exceptional HER activity is correlated to the enhanced electron states close to the Fermi level as well as the d-band center positions of the TM. Our work opens new avenues for engineering low-cost TM SACs with pH-universal HER performance, which is of great importance in practical applications." @default.
- W3217048006 created "2021-12-06" @default.
- W3217048006 creator A5020906798 @default.
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- W3217048006 date "2022-03-01" @default.
- W3217048006 modified "2023-10-16" @default.
- W3217048006 title "Low-cost single-atom transition metals on two-dimensional SnO nanosheets for efficient hydrogen evolution catalysis in all pH-range" @default.
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- W3217048006 doi "https://doi.org/10.1016/j.apsusc.2021.152021" @default.
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