2 papers
cond-mat.mtrl-sci2024
Feasibility of Li decorated Si6C14 and Si8C12 nanocages as promising hydrogen storage media: A computational study
Ankita Jaiswal, Rakesh K. Sahoo, Sridhar Sahu
This article presents the reversible hydrogen storage capacities of Li-decorated Si6C14 and Si8C12 using Density Functional Theory (DFT). The chemical stabilities of the designed S…
physics.app-ph2022
High capacity H2 adsorption over Si4Lin (n=1-3) binary clusters: A DFT study
Ankita Jaiswal, Sridhar Sahu
This paper presents a detailed study of the hydrogen adsorption properties of small silicon-lithium binary nanoclusters. The stabilities of H2 adsorbed binary clusters are assured…