微/纳米晶体表面结构的控制及其结构与性能关联的研究

表面化学家在单晶固体表面的物理化学行为和性质等方面取得了许多引人瞩目的成果，但若要深入探讨实际复杂体系中固体表面的结构与性能关系等基本物理化学问题，需要表面结构明确的微/纳米晶体。本项目拟以具有催化等重要应用背景的功能微/纳米晶体的表面结构的控制为主要目标，通过相关原位技术结合理论模拟，系统地从晶体生长动力学和热力学两个方面考察微/纳米晶体表面结构的控制和形成机制，提出微/纳米晶体表面结构控制的方法和理论；制备组成确定、表面结构可控的贵金属和氧化物微/纳米晶体，结合电化学、光谱、程序升温脱附质谱以及EXAFS等多种结构表征手段，探索微/纳米晶体的表面结构研究方法，确定微/纳米晶体的表面结构；从原子、分子结构水平深入研究复杂实际体系中固体表面结构与相关物理化学性质的内在关联；为催化等复杂实际体系中相关材料的设计和应用提供理论指导。毋庸置疑，该研究将可能推动固体与表面物理化学研究迈上新的台阶。

Although great progresses have been achieved in the fundamental studies of the surface structures and corresponding properties of single crystals, in order to provide deep insight into the relationship between the exact surface structures and physical chemistry properties in the practical systems, it is important and urgent to prepare and explore micro-/nano-crystals with well-defined surface structures. In this project, according to the basic principles of crystallography and structural chemistry, we will develop efficient strategies to prepare uniform well-defined micro-/nano- crystals of functional metals and metal oxide. The definite surfaces of these micro-/nano-crystals will be consciously constructed by controlling the crystal growth process via adjusting both thermodynamic and kinetic parameters. The actual structures of the surfaces, including atomic arrangements, orientation, surface defect and adsorption, will be investigated by the electrochemical measurements, spectral analysis, electron microscopy observation, small-angle x-ray scattering (SAXS), x-ray absorption near edge structure (XANES), extended x-ray absorption fine structure (EXAFS), temperature programmed desorption mass spectrometry (TPD-MS), and so on. The formation/stabilization mechanism of the definite surfaces will be revealed based on the sophisticated analysis of the growth process, carefully characterization as well as mathematical simulations. A coherent picture will also be drawn to show how the properties of the as-prepared micro-/nano- crystals can be tuned by the structures of the surfaces. The main purpose of our study is to clarify related theory controlling mechanism of the definite surfaces, explore new methods for determining the surface structures, provide insight into the interaction of different surface structures and corresponding properties at atomic (molecular) scale, and finally build a bridge between the fundamental surface science researches and industrial applications. We are sure that such investigations will begin a new area of physical chemistry in the research of solid and surfaces.