Investigation of Boron and Boride Nanoclusters: Laying the Foundation for New Boron Nanostructures

通过该奖项，由化学结构，动力学和机制-化学部计划资助，来自普罗维登斯布朗大学的王来胜教授将对硼团簇和金属硼化物团簇的结构和键合作为尺寸和组成的函数进行基础研究。该项目的目标是建立基础和知识库，以了解硼基纳米结构的稳定性和可行性，以及发现新形式的硼纳米结构。将研究三种类型的硼相关纳米团簇：1）含有20至100个原子的硼团簇，2）金属硼化物团簇，和3）氢化硼团簇。这些团簇将使用激光蒸发超音速团簇源产生，并通过光电子能谱进行表征。光谱信息将与计算研究相结合，以阐明硼基团簇的结构，稳定性和化学键合。 团簇是原子的集合体，其结构和性质随原子数目的变化而变化，是纳米科学的基础。了解硼团簇的结构和性质如何随尺寸变化，将提供有关硼基纳米材料可行性的信息。金属硼化物是一类重要的超硬材料。了解金属硼化物团簇中金属原子与硼原子的键合方式，对于设计新型超硬硼化物材料具有重要意义。氢化硼团簇为研究氢与硼纳米结构的化学相互作用提供了机会，并为发现新形式的硼纳米结构提供了平台。通过拟议的研究，学生和博士后研究员将获得专门的培训，准备大小选定的集群和光谱和计算工具，以表征他们。将实验结果融入物理化学课堂教学。

Through this award, funded by the Chemical Structure, Dynamics, and Mechanisms - A Program of the Division of Chemistry, Prof. Lai-Sheng Wang from Brown University of Providence, will carry out fundamental investigations of the structures and bonding of boron clusters and metal boride clusters as a function of size and composition. The objective of this project is to build the foundation and knowledge base to understand the stability and viability of boron-based nanostructures, as well as discovering new forms of boron nanostructures. Three types of boron-related nanoclusters will be investigated: 1) boron clusters containing between 20 to 100 atoms, 2) metal boride clusters, and 3) hydrogenated boron clusters. These clusters will be produced using a laser vaporization supersonic cluster source and characterized by photoelectron spectroscopy. The spectroscopic information will be combined with computational studies to elucidate the structures, stability, and chemical bonding of the boron-based clusters. Clusters are aggregate of atoms and their structures and properties change with the number of atoms, forming the foundation of nanoscience. The understanding of how the structures and properties of boron clusters change as a function of size will provide information about the viability of boron-based nanomaterials. Metal borides constitute an important class of superhard materials. Fundamental knowledge about how metal atoms bond with boron atoms in metal boride clusters will be valuable in the design of new superhard boride materials. Hydrogenated boron clusters provide opportunities to investigate chemical interactions of hydrogen with boron nanostructures, as well as providing a platform to discover new forms of boron-nanostructures. Through the proposed research, students and postdoctoral fellows will acquire specialized training in the preparation of size-selected clusters and spectroscopic and computational tools to characterize them. The experimental results will be integrated into the classroom for the teaching of physical chemistry.