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Two-dimensional CdS/g-C6N6 heterostructure used for visible light photocatalysis

2018; Elsevier BV; Volume: 471; Linguagem: Inglês

10.1016/j.apsusc.2018.12.015

1873-5584

Guangzhao Wang, Xiaojiang Long, Kezhen Qi, Suihu Dang, Mingmin Zhong, Shuyuan Xiao, Tingwei Zhou,

Electronic and Structural Properties of Oxides

We have calculated and discussed the electronic and optical properties of two-dimensional (2D) CdS/g-C6N6 heterostructures by using hybrid density functional of HSE06. The CdS and g-C6N6 can form CdS/g-C6N6 heterostructures through weak van der Waals (vdW) interactions. The CdS/g-C6N6 composites are indirect bandgap semiconductors and type-II heterostructures. The visible light absorbtion of CdS/g-C6N6 composites is obviously improved, and the band alignment is beneficial for spontaneous water redox reactions. Furthermore, the electrons migrating from CdS layer to g-C6N6 leads to the built-in electric field formation, which promotes the effective separation of photogenerated carriers. These factors imply CdS/g-C6N6 composites are promising visible light water-splitting photocatalysts.