异质结
光催化
可见光谱
材料科学
单层
光电子学
吸收边
带隙
分解水
化学
纳米技术
催化作用
生物化学
作者
Guangzhao Wang,Linxi Gong,Zongfeng Li,Biao Wang,Wanli Zhang,Binfang Yuan,Tingwei Zhou,Xiaojiang Long,Anlong Kuang
摘要
Based on hybrid density functional calculations, the geometrical and electronic structures of a two-dimensional (2D) CdO/CdS heterostructure (HT) formed by a CdO monolayer (ML) and a CdS ML are investigated. The formation of the CdO/CdS HT is exothermic, and the CdO/CdS HT shows excellent ability for visible light absorption. The CdO/CdS HT with a rotation angle of 0° possesses the characteristics of type-II band alignment and strong built-in electric field across the interface, which boost the photogenerated carrier separation. Besides, the band edge positions of the CdO/CdS HT of 0° are energetically favorable for overall water-splitting processes with the pH scope of 0-3.6. Therefore, the CdO/CdS HT is a promising photocatalyst to split water.
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