材料科学
碳纳米管
纳米管
光催化
带材弯曲
微观结构
电子能带结构
带隙
纳米技术
氮化碳
化学物理
可见光谱
化学工程
光电子学
复合材料
化学
催化作用
有机化学
凝聚态物理
工程类
物理
作者
Yingfei Wan,Jin Zhang,Jinwei Chen,Zengjian Liu,Jinlong Fan,Jie Zhang,Gang Wang,Ruilin Wang
标识
DOI:10.1016/j.cej.2020.127956
摘要
The microstructure design of polymeric carbon nitride (PCN) has been proved to promote the interlayer transport of photogenerated electron, but its influence mechanism is still not unequivocal. Herein, based on the PCN nanotube model with actual thickness, we proposed a novel mechanism by density functional theory (DFT) calculation, which explained the effect of the nanotube structure of photogenerated electron interlayer transport. The calculation results revealed that the bending layers with different curvatures in PCN nanotubes has a varying energy band structure, so there was a phenomenon of energy band interleaving between the layers. Moreover, the generated built-in electric field can drive the transport of photogenerated electron between layers. On the basis of theoretical calculations, PCN nanotubes were synthesized by a typical supramolecular assembly method. As expected, the results were consistent with the calculated results. The synthesized PCN nanotube sample exhibited improved photogenerated carrier separation capabilities, significantly changed band structure, and enhanced hydrogen production performance under visible light (4.35 mmol·g−1·h−1), which was 15.76 times higher than that of layered bulk PCN. The current work can provide new insights into the specific mechanism of the photogenerated electron interlayer transfer for microstructure design.
科研通智能强力驱动
Strongly Powered by AbleSci AI