Theory-guided design of electron-deficient ruthenium cluster for ampere-level current density electrochemical hydrogen evolution
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 )