Hydrogen storage on chains-terminated fullerene C20 with density functional theory
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.137940
Abstract: Abstract In this paper, Carbon atomic chains-terminated C20 (C20-4C5) and boron-nitrogen atomic chains-terminated C20 (C20-4B3N2) are designed theoretically. Ti-decorated C20-4C5 and C20-4B3N2 is used to study the hydrogen storage capacity by first-principles density functional theory… read more here.
Keywords: c20 4c5; hydrogen storage; chains terminated; density ... See more keywords