材料科学
密度泛函理论
制作
氮化物
空位缺陷
氰胺
光催化
石墨氮化碳
氢
氮化碳
带隙
化学工程
纳米技术
冷凝
光电子学
催化作用
计算化学
化学
结晶学
热力学
有机化学
医学
替代医学
病理
图层(电子)
工程类
物理
作者
Yingjie Guo,Gang Liu,Wanzhong Yin,Yushen Zhang,Lei Shi
出处
期刊:Fuel
[Elsevier]
日期:2024-04-01
卷期号:362: 130743-130743
被引量:2
标识
DOI:10.1016/j.fuel.2023.130743
摘要
Designing a reasonable defect structure in carbon nitride could effectively suppress the recombination of charges and holes. However, there was a lack of precise strategies for planning defect engineering. To address this, a multi-step strategy involving secondary thermal condensation and sodium assistance was successfully developed. This strategy synthesized -NHx vacancies and cyanamide defects co-modified g-C3N4 (NCMCN). By adjusting the bulk g-C3N4 (MCN), the two defect structures obtained enhanced the light response ability, increased the specific surface area, and reduced the band gap. These improvements were supported by experimental results and density functional theory (DFT) calculations. Consequently, NCMCN demonstrated outstanding photocatalytic performance compared to both pristine MCN and nitrogen vacancy-modified NVMCN. Notably, the Hydrogen Evolution Reaction (HER) results of NCMCN were 10.65 times higher than those of MCN.
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