Photocatalysis is a promising way to overcome the current energy crisis and environmental pollution due to its cleanliness and sustainability. Herein, g-C₃N₄/InSe (CNIS) heterostructures (HSs) with different rotation angles are constructed to achieve highly efficient photocatalytic water splitting. It is shown that the CNIS HSs can achieve a transition from type-II to type-I by switching the rotation angles between 0° and 60°, 120°. The band edges of 0° CNIS are thermodynamically favorable for spontaneous water splitting within the pH scope of 0–5.7. In addition, the bandgap and optical spectra suggest that the 0° CNIS has excellent visible-light absorption ability, and the presence of a substantial built-in electric field across the interface induced by charge transfer can be highly beneficial twoard the photoexcited carrier separation. These results pave the way for designing novel 2D water-splitting photocatalysts.

中文翻译：

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g-C3N4/InSe范德华异质结构的旋转可调I型/II型能带排列和光催化性能

由于其清洁和可持续性，光催化是克服当前能源危机和环境污染的一种很有前途的方法。在此，gC ₃ N ₄构建具有不同旋转角度的/InSe（CNIS）异质结构（HS）以实现高效的光催化水分解。结果表明，CNIS HSs可以通过在0°和60°、120°之间切换旋转角度来实现从II型到I型的过渡。0° CNIS 的带边缘在热力学上有利于在 0-5.7 的 pH 范围内自发分解水。此外，带隙和光谱表明 0°CNIS 具有出色的可见光吸收能力，并且由电荷转移引起的跨界面的大量内置电场的存在对光激发载流子的分离非常有益。这些结果为设计新型二维水分解光催化剂铺平了道路。