| 内容提要: |
In this work, Zn vacancies (VZn) was fabricated in ZnIn2S4 and an upgraded-SCM model was proposed to explain this formation process. Different concentrations of -SH ligand with Zn2+/In3+ could induce various VZn formation and best catalyst achieved 5.63 mmol g-1 h-1 CO yield with 97.9% selectivity. The barrier of activation energy that *CO formation which is rate-limiting step in suitable VZn-ZnIn2S4 was reduced via density functional theory (DFT). This work will provide an effective pathway to design positive ion vacancies by control precursor coordination for better performance. |