化学
电合成
纳米片
催化作用
过电位
金属有机骨架
密度泛函理论
金属
电解
无机化学
结晶学
有机化学
电化学
物理化学
计算化学
电解质
电极
吸附
作者
Li Liu,Yang Hai,Yun Gong
标识
DOI:10.1002/ejic.202000729
摘要
Utilizing a facile one‐step electrodeposition method, several terephthalate (tp)‐based MOFs, M 3 (OH) 2 (H 2 O) 2 (tp) 2 (M = Ni, Co or Fe) have been synthesized on Ni foam (NF) or carbon cloth (CC). Among the MOFs, Ni‐MOF/NF shows porous nanosheet arrays on NF and exhibits extraordinary hydrogen evolution reaction (HER) catalytic activity with an overpotential (η 10 ) of 60 mV to reach a current density of –10 mA cm –2 , which is superior to Co‐MOF/NF (η 10 = 184 mV) and Fe‐MOF/NF (η 10 = 203 mV), and even comparable to Pt/C (η 10 = 23 mV), indicating the HER performance is associated with the species of metal ions and the morphology. In addition, it is primarily investigated the formation mechanism of Ni‐MOF nanosheet arrays on Ni foam. Furthermore, Ni‐MOF/NF can endure 50 h‐electrolysis test at –20 mA cm –2 in alkaline condition. Density functional theory (DFT) calculations identify the active site of Ni3(OH) 2 (H 2 O) 2 (tp) 2 for HER is the O‐site from the coordinated ‐OH group (ΔG H =–0.40 eV) rather than the O‐site from the coordinated H 2 O molecule (ΔG H = –1.75 eV).
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