异质结
材料科学
光催化
半导体
带隙
密度泛函理论
电子转移
光电子学
光化学
化学
催化作用
计算化学
生物化学
作者
Yingxian Wang,Chunming Yang,Yuanyuan Zhang,Li Guo,Yu Wang,Ge Gao,Feng Fu,Bin Xu,Danjun Wang
标识
DOI:10.1016/j.ijhydene.2022.01.015
摘要
The construction of heterostructure is an effective strategy to synergetically couple wide-band-gap with the narrow-band-gap semiconductor with a mediate optical property and charge transfer capability. Herein, the Z-Scheme CdS/ZnSnO3 (CdS/ZSO) heterostructures were constructed by anchoring CdS nanoparticles on the surface of double-shell hollow cubic ZnSnO3 via the hydrothermal method. The direct recombination of excited electrons in the conduction band (CB) of ZSO and holes in the valence band (VB) of CdS via d-p conjugation at the interface greatly accelerated the internal electric field (IEF). The transfer mode follows the Z-Scheme mechanism, where CdS/ZSO synergistically facilitates the efficient charges transfer from CdS to ZnSnO3 through the intimate interface. Here, ZnSnO3 and CdS serve as an oxidation photocatalyst (OP) and reduction photocatalyst (RP), respectively. Thus, it can promote synergistically the oxidation half-reaction and reduction half-reaction of H2 evolution. The density-functional theory (DFT) calculation further confirms the charges transfer from CdS to ZnSnO3. The hydrogen evolution of 5% CdS/ZSO heterostructure reached 1167.3 μmol g−1, which was about 8 and 3 folds high compared to pristine ZSO (141.9 μmol g−1) and CdS (315.5 μmol g−1), during 3 h of reaction respectively. Furthermore, the CdS/ZSO heterostructures could suppress the photo corrosion of CdS, resulting in its high stability. This work is expected to enlighten the rational design of heterostructure for OP and RP to promote the hybrid heterostructures photocatalytic H2 evolution.
科研通智能强力驱动
Strongly Powered by AbleSci AI