第一作者：Hu, Ze-Nan

通讯作者：Sun, Hong-bin Hu, Jianshe Liang, Qionglin Yang, Yang

合写作者：Ai, Yongjian Xu, Wenjuan Zhang, Xinyue Sun, Zejun Guo, Liutao Guo, Rongxiu Wang, Yao Ding, Kelong

发表刊物：Small

卷号：18

DOI码：10.1002/smll.202200439

所属单位：Department of Chemistry, Northeastern University

教研室：物理化学

刊物所在地：GERMANY

摘要：The intercrystalline interfaces have been proven vital in heterostructure cata-lysts. However, it is still challenging to generate specified heterointerfacesand to make clear the mechanism of a reaction on the interface. Herein, thiswork proposes a strategy of Fe-catalyzed cascade formation of heterointer-faces for comprehending the hydrogen evolution reaction (HER). In the puresolid-phase reaction system, Fe catalyzes the in situ conversion of MoO2 toMoC and then Mo2C, and the consecutive formation leaves lavish intercrys-talline interfaces of MoO2 -MoC (in Fe-MoO2/MoC@NC) or MoC-Mo2 C (inFe-MoC/β-Mo 2 C@NC), which contribute to HER activity. The improved HERactivity on the interface leads to further checking of the mechanism withdensity functional theory calculation. The computation results reveal that theelectroreduction (Volmer step) produced H* prefers to be adsorbed on Mo2C;then two pathways are proposed for the HER on the interface of MoC-Mo2C,including the single-molecular adsorption pathway (Rideal mechanism) andthe bimolecular adsorption pathway (Langmuir–Hinshelwood mechanism).The calculation results further show that the former is favorable, and thereaction on the MoC-Mo 2 C heterointerface significantly lowers the energybarriers of the rate-determining steps

论文编号：WOS:000776841100001

学科门类：理学

一级学科：化学

页面范围：2200439

ISSN号：1613-6810

是否译文：否