原子与分子物理学报2024，Vol.41Issue(6)：1-5,5.DOI:10.19855/j.1000-0364.2024.061001
Z型InN/SnS2范德华异质结增强光催化水分解
Z-scheme InN/SnS2 van der Waals heterojunction increases photocatalytic overall water splitting
摘要
Abstract
Finding an efficient photocatalyst to decompose water into hydrogen is one of the effective ways to solve the energy crisis and environmental problems.For the InN/SnS2 heterojunction,the geometric property,the electronic structure and photocatalytic properties for water splitting are explored based on first-principles calculations.The results suggest that InN/SnS2 heterostructure is a type-Ⅱ band alignment to effectively sepa-rate carriers.Under the light radiation,a narrow band gap and intrinsic electric field can accelerate the transfer of photogenerated carriers along the Z-shaped path,which preserves the strong redox ability of InN/SnS2 het-erojunction.The photo-generated electrons on InN make the hydrogen evolution reaction happen continuously,while the photo-generated holes on SnS2 make the oxygen evolution reaction happen continuously.The band edge position of InN/SnS2 heterojunction can span the redox potential for the photocatalytic overall water split-ting.Therefore,the results show that InN/SnS2 heterojunction is a potential direct Z-scheme photocatalyst for photocatalytic water splitting to produce hydrogen.关键词
第一性原理/水分解/直接Z型异质结/光催化Key words
First-principles/Water splitting/Direct Z-scheme heterojunction/Photocatalysis分类
化学化工引用本文复制引用
戴卓旎,盛威,许英..Z型InN/SnS2范德华异质结增强光催化水分解[J].原子与分子物理学报,2024,41(6):1-5,5.基金项目
湖南省研究生科研创新项目(CX20221060) （CX20221060）
湖南省教育厅科研基金(22A0342) （22A0342）
