材料科学
原子轨道
析氧
异质结
离解(化学)
分解水
键裂
电催化剂
无机化学
物理化学
电子
电极
物理
催化作用
化学
电化学
生物化学
量子力学
光催化
光电子学
作者
Z. W. Ge,Jingwei Li,Huijian Zhang,Chunbo Liu,Guangbo Che,Zhao‐Qing Liu
标识
DOI:10.1002/adfm.202411024
摘要
Abstract Electrocatalytic water splitting for hydrogen production still faces a bottleneck due to sluggish reactive kinetics and high reactive energy barriers. Herein, p–d orbital coupling P–Fe heterosites are constructed at Ni 2 P–FeNi‐LDH interfaces to enhance the O─H bond cleavage of reaction intermediates H 2 O* and OH* for oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), respectively. The Ni 2 P/NiFe‐LDH heterostructure shows superior HER and OER activities for alkaline water splitting with overpotentials of 230 and 270 mV at 100 mA cm −2 , respectively, and even exhibits high activity for electrocatalytic alkaline seawater splitting. The interaction of P 2p and Fe 3d orbitals at Ni 2 P–FeNi‐LDH interfaces upshifts the d‐band center of Fe and downshifts the p‐band center of P. This finding not only facilitates the dissociation of O─H bonds in H 2 O and promotes the Volmer–Heyrovsky step for HER, but also reduces the energy barrier for the rate‐determining step of OER from OH* to O* transition. This work proposes a new approach to constructing p–d heterosites at heterojunctions to facilitate reactive kinetics and reduce the energy barrier for electrocatalysis.
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