Alkali earth metal clusters have been the subject of intense interest due to the wide range of
applications and unique characteristics of transition from nonmetallic to metallic bond. In this …

Bimetallic clusters have attracted much attention because of the structural and property
changes that occur: cluster size and doping. Here, we performed a structural search of the …

This paper reports systematic studies of small sized magnesium clusters doped with two
barium atoms in both neutral and anionic species. The search, geometric optimization, and …

Probing the effects of lithium doping on structures, properties, and stabilities of magnesium
cluster anions - IOPscience Skip to content IOP Science home Accessibility Help Search …

Bimetallic clusters aroused a great deal of attention in materials science because of their
novel properties, depending sensitively on their size, structure, and composition. Herein, we …

To understand the effect of magnesium atom doping on boron clusters, here we report the
lowest-lying energy structures and electronic properties of neutral and monoanionic …

Bimetallic clusters have aroused increased attention because of the ability to tune their own
properties by changing size, shape, and doping. In present work, a structural search of the …

Structure, stability, charge transfer, chemical bonding, and spectroscopic properties of Ga
atom-doped neutral Mg n (n= 2–12) clusters have been systematically investigated by …

Evolutionary searches using the USPEX method (Universal Structure Predictor: Evolutionary
Xtallography) combined with density functional theory (DFT) calculations were performed to …

Using CALYPSO crystal search software, the structural growth mechanism, relative stability,
charge transfer, chemical bonding and optical properties of AuMgn (n= 2–12) nanoclusters …