期刊論文
| 學年 | 111 |
|---|---|
| 學期 | 2 |
| 出版（發表）日期 | 2023-07-13 |
| 作品名稱 | Theory-guided design of electron-deficient ruthenium cluster for ampere-level current density electrochemical hydrogen evolution |
| 作品名稱（其他語言） | |
| 著者 | L. Wang, Y. Liu, Z. Chen, Q. Dai, C. L. Dong, B. Yang, Z. Li, X. Hu, L. Lei, and Y. Hou |
| 單位 | |
| 出版者 | |
| 著錄名稱、卷期、頁數 | Nano Energy 2023, 115, 108694 |
| 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. |
| 關鍵字 | |
| 語言 | en |
| ISSN | 2211-3282; 2211-2855 |
| 期刊性質 | 國外 |
| 收錄於 | SCI |
| 產學合作 | |
| 通訊作者 | |
| 審稿制度 | 否 |
| 國別 | NLD |
| 公開徵稿 | |
| 出版型式 | ,電子版 |
| 相關連結 |
機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/125743 ) |