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影响因子：6.3

DOI码：10.1016/j.apsusc.2024.161528

发表刊物：Applied Surface Science

关键字：Polyalloy; Catalytic electrode; Oxygen evolution reaction; Molecular dynamics simulation; Wettability

摘要：Polyalloy catalysts composed of non-precious metals exhibit considerable potentials for facilitating overall water splitting processes in alkaline environments. However, achieving evaluations and optimizations of surface property mechanisms of polyalloy for enhanced OER catalyses is the key scientific issue that urgently need to be solved. Electrodeposited technique coupled with molecular dynamics simulations (MDS) are the key to breaking through aforementioned bottlenecks. Moreover, accurately predicting selections of non-precious metal elements in these catalysts through molecular dynamics simulations poses a challenging task. Here, three distinct non-precious metal catalysts (i.e. Ni, NiCo, and NiCoFe) were successfully synthesized through a facile one-step electrodeposition approach under a three-electrode system, which were deposited onto carbon sheets. For the sake of evaluating catalytic properties, MDS were utilized to calculate contact angles on ideal surfaces, which were verified by experimental measurements. Furthermore, ternary alloy catalysts (i.e. NiCoFe) exhibited an overpotential of 254 mV at a current density of 10 mA cm2 and exhibited remarkable stability over a prolonged 150-hour testing period. Finally, main findings can further underscore potentials of utilizing electrodeposition to fabricate efficient non-precious metal catalytic electrodes for overall water splitting, as well as the feasibility of indirectly predicting electrocatalytic performances of such cost-effective catalysts via MDS.

备注：中科院二区Top

合写作者：Yuhan Sun,Weicheng Sun,Shuhua Li

第一作者：Fankai Zhu

论文类型：期刊论文

通讯作者：Yuqing Wang,Muyao Wu,Junlong Jiao

论文编号：161528

学科门类：工学

文献类型：J

卷号：681

ISSN号：0169-4332

是否译文：否

发表时间：2024-10-15

收录刊物：SCI、EI

发布期刊链接：https://www.sciencedirect.com/science/article/pii/S0169433224022438