过电位
塔菲尔方程
电催化剂
析氧
密度泛函理论
电流密度
金属有机骨架
材料科学
过渡金属
化学工程
纳米技术
化学
催化作用
物理化学
计算化学
电化学
电极
有机化学
物理
工程类
吸附
量子力学
作者
Tingting Wang,Yu Wu,Ying Han,Peiwen Xu,Yijun Pang,Xinzhen Feng,Hao Yang,Weijie Ji,Tao Cheng
出处
期刊:ACS applied nano materials
[American Chemical Society]
日期:2021-11-17
卷期号:4 (12): 14161-14168
被引量:10
标识
DOI:10.1021/acsanm.1c03619
摘要
Developing an efficient and low-cost electrocatalyst is important in energy conversion and storage, while it is challenging especially in the oxygen evolution reaction (OER) owing to the sluggish kinetic process. Hofmann-type metal–organic frameworks (MOFs) are layer-structured materials, and if they are synthesized in the form of regular-shaped and slim nanosheets, a higher density of exposed active sites and easier electron and mass transport will be expected. In the current study, we prepared such a type of Hofmann MOFs plus Ni site tuning for the OER. The characterizations verified the successful material synthesis and characteristics. Density functional theory (DFT) simulations proved that the Ni site modified by Fe atom is more efficient for the critical OH* as well as O* intermediate formation. Taking advantage of the designed unique structure configuration, the as-obtained Fe–Ni Hofmann-type MOF showed the OER activity with an overpotential of 290 mV at the current density of 10 mA cm–2 and a Tafel slope of 44 mV dec–1, the very best performance plus outstanding durability among the Hofmann-type MOFs for the OER known to date.
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