催化作用
密度泛函理论
共价键
材料科学
钴
金属
化学物理
Atom(片上系统)
氢
格子(音乐)
活动站点
结晶学
纳米技术
化学
计算化学
物理
嵌入式系统
有机化学
冶金
生物化学
计算机科学
声学
作者
Kun Qi,Xiaoqiang Cui,Lin Gu,Shansheng Yu,Xiaofeng Fan,Mingchuan Luo,Shan Xu,Ningbo Li,Lirong Zheng,Qinghua Zhang,Jingyuan Ma,Yue Gong,Fan Lv,Kai Wang,Hai‐Hua Huang,Wei Zhang,Shaojun Guo,Weitao Zheng,Ping Liu
标识
DOI:10.1038/s41467-019-12997-7
摘要
Abstract The grand challenge in the development of atomically dispersed metallic catalysts is their low metal-atom loading density, uncontrollable localization and ambiguous interactions with supports, posing difficulty in maximizing their catalytic performance. Here, we achieve an interface catalyst consisting of atomic cobalt array covalently bound to distorted 1T MoS 2 nanosheets (SA Co-D 1T MoS 2 ). The phase of MoS 2 transforming from 2H to D-1T, induced by strain from lattice mismatch and formation of Co-S covalent bond between Co and MoS 2 during the assembly, is found to be essential to form the highly active single-atom array catalyst. SA Co-D 1T MoS 2 achieves Pt-like activity toward HER and high long-term stability. Active-site blocking experiment together with density functional theory (DFT) calculations reveal that the superior catalytic behaviour is associated with an ensemble effect via the synergy of Co adatom and S of the D-1T MoS 2 support by tuning hydrogen binding mode at the interface.
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