Structural and electronic properties of neutral and anionic magnesium clusters doped with two barium atoms
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2021.117622
Abstract: Abstract 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 energy correction of stable and low-energy structures were… read more here.
Keywords: doped two; two barium; clusters doped; barium atoms ... See more keywords
Study on structures, stabilities, electronic and magnetic properties of zirconium-doped magnesium clusters Zr2Mgn
Sign Up to like & getrecommendations! Published in 2024 at "Molecular Physics"
DOI: 10.1080/00268976.2024.2388301
Abstract: Transition metal zirconium-doped magnesium clusters, Zr2Mgn (n = 1–11), were studied through a collaborative combination of the CALYPSO code and DFT calculations. The results show that the Zr2Mgn clusters have a structural transition from 2D to 3D… read more here.
Keywords: doped magnesium; clusters zr2mgn; magnesium clusters; zirconium doped ... See more keywords