脱氢
联氨(抗抑郁剂)
催化作用
吸附
密度泛函理论
氢气储存
氢
化学工程
化学
无机化学
材料科学
电子效应
光化学
化学物理
电子结构
多相催化
氢燃料
分子
动力学
制氢
计算化学
电子
化学反应
电子密度
联轴节(管道)
纳米技术
功能理论
物理化学
反应机理
作者
Kun Wang,Xi Zhang,Zhang‐Hui Lu,Jinyang Zhang,Qilu Yao,Weihong Liu,JL Long,Wentao Wang,Lei Wang,Zhujun Zhang,Qiang Xü
摘要
ABSTRACT Hydrous hydrazine has emerged as a promising liquid‐phase hydrogen storage material, but its practical application has long been constrained by sluggish reaction kinetics under neutral conditions. Drawing inspiration from interfacial engineering, we designed a NiPt‐Ni(OH) 2 interface that regulates the local microenvironment, enabling highly efficient hydrogen production from hydrous hydrazine under neutral conditions at room temperature. At the interfaces, strong electronic coupling is established and the adsorption of hydrazine is also altered. The resulting NiPt‐Ni(OH) 2 catalyst achieves a remarkable apparent turnover frequency of 310.7 h −1 at 298 K, representing the highest performance reported to date for hydrous hydrazine dehydrogenation without external base added during catalysis. Combined spectroscopic analysis and density functional theory calculations reveal that the interfacial Ni(OH) 2 not only donates electrons to the NiPt alloy, modulating its electronic structure but also provides Brønsted basic sites that promote a favorable linear adsorption configuration of hydrazine. This dual electronic and chemical modulation lowers the energy barrier for dehydrogenation and accelerates hydrogen evolution kinetics. Our findings establish a generalizable interface engineering paradigm for catalytic enhancement under mild conditions without relying on external alkaline additives.
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