Geometric Structures and Electronic Properties in Medium-Sized Clusters

Dear Colleagues,

The experimental and theoretical studies of the atomic and molecular clusters are interesting topics since they constitute intermediate phases between individual atoms and bulk solids, which can be used to understand how the fundamental properties of materials evolve from isolated atoms or small molecules to a bulk phase. Clusters can be formed by most of the elements in the periodic table. They can be classified by the types of atoms of which they are composed and the nature of the bonding in these clusters. Such as metal clusters, semiconductor clusters, rare gas clusters, molecular clusters, and ionic clusters. Some of them are even found in the atmosphere, for instance water clusters. Thus, the study of the evolution of the geometric and electronic structures of clusters and their chemical and physical properties is of great fundamental interest. Meanwhile, some important questions have arisen: (1) By studying the geometric structures of clusters, how their structures change as a function of size, and cluster growth patterns, can we gain an understanding of crystal growth at the microscopic level? (2) To what extent do cluster properties resemble those of discrete molecules or infinite solids? (3) Can the study of large finite clusters tell us anything about the bonding or explain the properties of bulk solids? (4) How rapidly do cluster structures and other properties converge towards those of the bulk as the cluster size increases?

To answer the above questions, this Special Issue aims to gain a fundamental understanding of the ground state geometric structures in medium-sized clusters, and reexamine a number of selected neutral and charged low-energy clusters that have been reported previously by experiments or density functional calculations. Additionally, this Special Issue also motivates to explore the physical mechanism of the growth behaviors of medium-sized clusters and provide relevant information for further theoretical and experimental studies.

Therefore, I sincerely invite you to contribute the original, high-quality papers and review articles discussing significant achievements in both experiment and theory for the geometric structures and electronic properties in medium-sized clusters.

Prof. Dr. Cheng Lu
Guest Editor

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• atomic and molecular clusters
• medium-sized clusters
• geometric structures
• cluster growth patterns
• cluster structure prediction
• first-principles calculations
• HOMO-LUMO gaps
• density functional theory
• stability
• polarizability
• mass spectrometry
• photoelectron spectra