On the energetic and magnetic stability of potassium atomic clusters doped by yttrium
HN González-Ramírez… - Physical Chemistry …, 2024 - pubs.rsc.org
This study utilizes density functional theory (DFT) calculations to explore the energetic and
magnetic stability of neutral and charged potassium (K) clusters doped with yttrium (Y). We …
magnetic stability of neutral and charged potassium (K) clusters doped with yttrium (Y). We …
On the energetic and magnetic stability of neutral and charged lithium clusters doped with one and two yttrium atoms
HN González-Ramírez, HXS Vega… - Physical Chemistry …, 2023 - pubs.rsc.org
DFT calculations were performed to study the effect on energetic and magnetic stability
when clusters with up to 24 lithium atoms were doped with one and two atoms of yttrium. In …
when clusters with up to 24 lithium atoms were doped with one and two atoms of yttrium. In …
Theoretical Study of the Structures and Properties of WLin (n = 2-12) Bimetallic Clusters
Doping W into Li can greatly enhance the activity of Li-ion battery. However, the structures
and properties of W-doped Li clusters remain elusive. In this study, we combined the global …
and properties of W-doped Li clusters remain elusive. In this study, we combined the global …
Geometries and electronic structures of Pn− 1Al (n= 20–40) cages: A DFT study
CH Yao, Y De Li - Computational and Theoretical Chemistry, 2022 - Elsevier
Density functional theory calculations have been performed to study the geometrical
structures and electronic properties of P n− 1 Al cage clusters in the range of n= 20–40 …
structures and electronic properties of P n− 1 Al cage clusters in the range of n= 20–40 …
[引用][C] On the energetic and magnetic stability of neutral and charged lithium clusters doped by one and two yttrium atoms
HNG Ramírez, Z Gómez-Sandoval