Geometries, stabilities, and magnetic properties of Co2Bn (n = 1–10) clusters
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-018-3906-2
Abstract: AbstractThe geometries, stabilities, and magnetic properties of Co2Bn (n = 1–10) clusters were systematically investigated by performing spin-polarized density functional theory calculations. We found that doping Bn clusters with Co significantly changed their structures. Co2B2 and Co2B5… read more here.
Keywords: stabilities magnetic; magnetic properties; spin magnetic; co2bn clusters ... See more keywords
Geometries, stabilities and electronic properties of photo sensitized (CdS)2n (n=5–27) nanoclusters
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2018.05.240
Abstract: Abstract As advanced materials for energy storage or conversion applications, metal sulfides with hollow structures are as widely used as supercapacitors and sensors. The geometries and electronic properties of (CdS) 2n (n = 5–27) nanocages are calculated… read more here.
Keywords: energy; conversion; electronic properties; geometries stabilities ... See more keywords