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- W4384025669 abstract "Ru-based materials have regarded as ideal alternatives to Pt-based catalysts for hydrogen evolution reaction (HER), however, strong adsorption of H intermediate for Ru-based catalysts results in an unsatisfactory HER activity. Herein, we perform a high-throughput computational screening of different Ru clusters that supported on a carbon substrate embedded with various non-precious metals by comparing their structure stability and adsorption energy of H intermediate. Guided by the computational predictions, a unique 3D catalyst of Ru cluster with a size of < 2 nm anchored on spherical carbon shell confining Ni particles (Ru/[email protected]) is developed. Owing to the strong metal-substrate interaction and optimized electronic structure, Ru/[email protected] exhibits an outstanding HER performance with an ultra-low overpotential of 309 mV at 1.0 A cm-2, outperformed commercial Pt/C and Ru/C catalysts. Experimental observations and theoretical calculations demonstrate the efficient electron transfer from anchored Ru cluster to core Ni particles via carbon layer, which leads to the formation of electron-deficient Ru site, beneficial to adjust the ability of H adsorption and eventually promotes the whole HER process." @default.
- W4384025669 created "2023-07-13" @default.
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- W4384025669 date "2023-10-01" @default.
- W4384025669 modified "2023-10-16" @default.
- W4384025669 title "Theory-guided design of electron-deficient ruthenium cluster for ampere-level current density electrochemical hydrogen evolution" @default.
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- W4384025669 doi "https://doi.org/10.1016/j.nanoen.2023.108694" @default.
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