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https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/125743
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| 题名: | Theory-guided design of electron-deficient ruthenium cluster for ampere-level current density electrochemical hydrogen evolution |
| 作者: | Wang, Lin;Liu, Yingnan;Chen, Zhengfei;Dai, Qizhou;Dong, Chung-Li;Yang, Bin;Li, Zhongjian;Hu, Xiaobing;Lei, Lecheng;Hou, Yang |
| 日期: | 2023-10 |
| 上传时间: | 2024-07-31 12:11:27 (UTC+8) |
| 出版者: | Elsevier |
| 摘要: | 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/Ni@C) is developed. Owing to the strong metal-substrate interaction and optimized electronic structure, Ru/Ni@C 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. |
| 關聯: | Nano Energy 115, 108694 |
| DOI: | 10.1016/j.nanoen.2023.108694 |
| 显示于类别: | [電機工程學系暨研究所] 期刊論文
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