控制合成Zn2SnO4空心多面体及气敏选择性机制研究

半导体气体敏感技术的核心是控制合成具有优良气敏特性的半导体金属氧化物气敏材料。设计与构筑功能微纳米结构是赋予半导体金属氧化物优良气敏性能，拓宽应用新领域的重要途径。本项目拟以新型复合金属氧化物Zn2SnO4气敏材料的开发为研究目的，综合Zn2SnO4特定裸露晶面的表面特性与中空结构比表面积高、易渗透的优点，通过构筑系列特定裸露晶面的Zn2SnO4中空多面体，揭示形成过程中的结构调变与组装规律，研究Zn2SnO4气敏材料的结构与气敏性能之间的相关性，结合第一原理计算探究裸露晶面对气体分子的吸附规律，深入理解裸露晶面对气体敏感过程与选择性差异的作用机制，为精确调控气敏性能提供新的思路，为拓展复合金属氧化物在气敏领域的应用奠定基础。

The controlled synthesis of semiconductor metal oxides with excellent gas sensing performance is the core of the semiconductor gas sensing technique. The design of functional nanostructures is an important way to explore the excellent gas sensing properties and broaden the applications of semiconductor metal oxides. In this project, we will focus on the new type gas sensing material of complex metal oxide Zn2SnO4. Combined the surface characteristic of special exposed crystal plane and the high special surface area of micro/nano hollow structures, Zn2SnO4 hollow polyhedra with special exposed crystal planes will be synthesized, and the structure modulation and assembly mechanism for the formation of hollow polyhedra will be detailedly investigated. Furthermore, the relationship between the structures and the gas sensing properties of Zn2SnO4 hollow polyhedra will be revealed, and the adsorption of gas molecules on special exposed crystal planes of Zn2SnO4 will be investigated using first-principles calculations. This can enhance the understanding of the effect of exposed crystal plane on the gas sensitivity and selectivity of Zn2SnO4 hollow polyhedra. This project not only provides a new way for the modulation of the gas sensing performance, but also lay a foundation to promote the application of complex metal oxides in the field of gas sensors.