氧化物纳米材料在催化、能源、环境等领域扮演着重要角色，其性能往往与其暴露的晶面相关。发展新的物理化学方法表征氧化物纳米材料暴露的晶面，对理解其结构与性能之间的联系至关重要。本项目提出引入新的选择表面17O同位素标记的方法，借助17O核磁共振谱学，结合理论计算，发展区分纳米材料暴露晶面的新方法。以此为基础，进一步研究暴露不同晶面的氧化物纳米材料的性能和相关反应机理，建立新的氧化物纳米材料结构与性能的表征方法。本项目将为改进纳米氧化物材料的性能，乃至针对特定应用理性设计新型纳米材料，应对国家在相关领域的重大研究需求提供新思路和理论依据。

Oxide nanostructures play an important role in catalysis, energy storage and environmental management, their properties closely related to the exposed crystal facets. It’s critical to develop new physical chemistry methods to characterize the exposed facets and understand the structure function relationship in these materials. We propose to develop a new method to distinguish the exposed crystal facets of oxide nanostructures by introducing new ways of surface-selective 17O isotope labeling and applying 17O solid-state NMR spectroscopy, in combination with DFT-calculations. On the basis of these results, we will further investigate the properties and reaction mechanisms of nanostuctures and finally develop a new approach to characterize the structure and properties of oxide nanostructures. This research is expected to provide new insights into the rational design of improved nanosized materials aimed for specific usage and major basic research needs of China in related fields.