Ligated Metal-Chalcogenide and Aluminum Based Superatoms for Superatomic Crystals with Tunable Functionalities
Abstract
Objectives: The key objective of the current proposal was to carry out theoretical studies on the effect of ligands on the redox properties of aluminum based superatomic clusters and carry out theoretical studies on recently discovered ligated metal-chalcogenide superatoms (composition MxEyLz; M: Transition Metal; E: Chalcogens; L: Ligand) and their assemblies. The metal-chalcogenide clusters, composed of a core of metal and chalcogen atoms surrounded by ligands, represent a new class of superatoms that are highly stable as individual motifs, whose properties can be controlled by changing the metallic core or the ligand, and can be assembled to form solids with diverse functionalities. Our objective is to offer insight into some of the recently observed unique features exhibited by such assemblies, to explore new potential applications of such assemblies in a two year program. The original work schedule was slightly delayed due to covid-19 problems but we accomplished all the proposed work and even carried out additional studies that have led to significant and important findings that are scientifically challenging and open doors to real applications. Our work was featured on the cover pages of three different journals. In the following, I briefly outline our objectives. (1) Controlling the redox properties of Aluminum based clusters and metal-chalcogenide clusters using donor and acceptor Ligands.
Document Details
- Document Type
- Technical Report
- Publication Date
- Dec 08, 2022
- Accession Number
- AD1190044
Entities
People
- Shiv N Khanna
Organizations
- Virginia Commonwealth University