@article{Zhao2023, 
author = {Xinru Zhao and Yanyan Liu and Huiyu Yuan and Hao Wen and Huanhuan Zhang and Saima Ashraf and Shuyan Guan and Tao Liu and Sehrish Mehdi and Ruofan Shen and Xianji Guo and Yanping Fan and Baozhong Liu and Baojun Li},
title = {Coupling atom ensemble and electron transfer in PdCu for superior catalytic kinetics in hydrogen generation},
year = {2023},
journal = {Nano Research},
volume = {16},
number = {7},
pages = {9012-9021},
keywords = {dual-active sites, PdCu nanoalloy, d-band holes, borohydride hydrolysis, ensemble effect},
url = {https://www.sciopen.com/article/10.1007/s12274-023-5667-1},
doi = {10.1007/s12274-023-5667-1},
abstract = {The design of high-performance catalysts is the key to the efficient utilization of hydrogen energy. In this work, a PdCu nanoalloy was successfully anchored on TiO2 encapsulated with carbon to construct a catalyst. Outstanding kinetics of the hydrolysis of ammonia borane (turnover frequency of 279 mol H2∙min−1∙molPd−1) ranking the third place among Pd-based catalysts was achieved in the absence of alkali. Both experimental research and theoretical calculations reveal a lower activation energy of the B–H bond on the PdCu nanoalloy catalyst than that on pristine Pd and a lower activation energy of the O–H bond than that on pristine Cu. The redistribution of d electron and the shift of the d-band center play a critical role in increasing the electron density of Pd and improving the catalytic performances of Pd0.1Cu0.9/TiO2-porous carbon (Pd0.1Cu0.9/T-PC). This work provides novel insights into highly dual-active alloys and sheds light on the mechanism of dual-active sites in promoting borohydride hydrolysis.}
}