杂原子
离解(化学)
材料科学
催化作用
密度泛函理论
兴奋剂
制氢
氢
电子转移
纳米技术
氮化物
化学工程
化学物理
组合化学
化学
光化学
计算化学
物理化学
有机化学
光电子学
工程类
图层(电子)
戒指(化学)
作者
Yujie Liu,Muhammad Tayyab,Wenkai Pei,Liang Zhou,Juying Lei,Lingzhi Wang,Yongdi Liu,Jinlong Zhang
出处
期刊:Small
[Wiley]
日期:2023-02-25
卷期号:19 (21)
被引量:25
标识
DOI:10.1002/smll.202208117
摘要
Traditional defect engineering and doping strategies are considered effective means for improving H2 evolution, but the uncontrollability of the modification process does not always lead to efficient activity. A defect-induced heteroatom refilling strategy is used here to synthesize heteroatoms introduced carbon nitride by precisely controlling the "introduction" sites on efficient N1 sites. Density functional theory calculations show that the refilling of B, P, and S sites have stronger H2 O adsorption and dissociation capacity than traditional doping, which makes it an optimal H2 production path. The large internal electric field strength of heteroatom-refilled catalysts leads to fast electron transfer and the hydrogen production of the best sample is up to 20.9 mmol g-1 h-1 . This work provides a reliable and clear insight into controlled defect engineering of photocatalysts and a universal modification strategy for typical heteroatom and co-catalyst systems for H2 production.
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