RUI: Theory of Covalent Atomic Clusters

Grant Details


9409085 In recent experiments a remarkable range of chemical and physical properties has been observed in intermediate-sized clusters of carbon and silicon atoms containing between about twenty and fifty atoms. These properties are surprisingly sensitive to such details as cluster size and shape, reflecting a subtle interplay between cluster electronic states and the overall cluster structure. In this Research at Undergraduate Institution grant, first-principles methods based on density functional theory will be used to study the electronic states of clusters in this size range. The ultimate goals of the project are to understand how the electronic states are influenced by such factors as cluster size and shape, and how the nature of the cluster electronic states in turn affects other properties of the clusters. %%% This is a Research at Undergraduate Institution award to conduct theoretical research on the properties of silicon and carbon clusters. These clusters have properties which are intermediate between those of the molecule and the solid. These properties are often unique and are highly dependent on the interplay between electron states and cluster shape. This research will conduct calculations of these electronic states and their effect on cluster properties. The work will be done in collaboration with the Naval Research Laboratory.

Effective start/end date07/15/9406/30/98


  • National Science Foundation: $106,800.00


Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.