Few-Layer C2N: A Promising Metal-free Photocatalyst for Water Splitting
Few-Layer C2N: A Promising Metal-free Photocatalyst for Water Splitting
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发表时间：
2015-05
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通讯作者：
Ruiqi Zhang;Jinlong Yang
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作者：
Ruiqi Zhang;Jinlong Yang
成功合成了氮化多孔二维结构C2N（Nat. Commun. 2015，6，6486）提供了一种成本有效的方法来产生具有新颖光学和电子特性的其他2D材料。在密度泛函理论计算的基础上，我们研究了单层和多层C2N的电子性质。我们发现少层C2N具有直接带隙，并且系统的直接带隙可以从单层的2.47 eV变化到五层的1.84 eV。此外，对于少层C2N，适当的带隙，带边排列，和强的可见光吸收表明，它可能是一个潜在的无金属可见光催化剂用于水裂解。
Successful synthesis of the nitrogenated holey two-dimensional structures C2N (Nat. Commun. 2015, 6, 6486) using simply wet-chemical reaction offer a cost-effective way to generate other 2D materials with novel optical and electronic properties. On basis of the density functional theory calculations, we investigate electronic properties of monolayer and multilayer C2N. We find that few-layer C2N have a direct bandgap and the direct bandgap of the system can vary from 2.47 eV for monolayer to 1.84 eV for a five-layer. Besides, for the few-layer C2N, appropriate band gap, band edge alignments, and strong visible-light absorption demonstrate it may be a potential metal-free visible-light driven photocatalyst for water splitting.