催化作用
化学
氢
密度泛函理论
双功能
水溶液
化学工程
无机化学
纳米技术
材料科学
物理化学
计算化学
有机化学
工程类
作者
Wenqiang Li,Zhi‐Yi Hu,Zhiwei Zhang,Ping Wei,Jianan Zhang,Zonghua Pu,Jiawei Zhu,Daping He,Shichun Mu,Gustaaf Van Tendeloo
标识
DOI:10.1016/j.jcat.2019.05.031
摘要
Because of high electrocatalytic activity, Pt based metal nanospheres (NSs) have attracted a lot of attention. Hence, multi-particle nano-single crystal coalesced PtCu NSs are designed and successfully synthesized by a cost-effective aqueous solution method. The formed PtCu NS catalyst exhibits a superior hydrogen evolution reaction (HER) electrocatalytic activity with an ultralow onset potential of 18 mV at the current density of 2 mA/cm2 and high mass activity of 1.08 A/mgPt (7.2 times higher than that of commercial Pt/C catalysts). Also, it shows an enhancement of 3.2 and 2.7 times in the mass and specific activities toward oxygen reduction reaction (ORR) compared to that of Pt/C. Moreover, it possesses an excellent catalytic durability for both ORR and HER. Even after 10,000 cycles, its ORR mass activity retains 87% of its initial value. The density functional theory (DFT) calculations demonstrate that by introducing Cu atoms into the Pt lattice, a downshift of the D-band center and favorable hydrogen adsorption free energy of approaching to zero (ΔG) occur, indicating the increased electrocatalytic activity of Pt electrocatalysts.
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