DOI: 10.1039/d6nj02160c ISSN: 1144-0546
Hydrogen storage behavior of endohedrally doped SWCNTs: A molecular dynamics study
Utkir Uljayev, Shaknozakhon Muminova, Erkin Vokhidov, Odiljon Sultonov, Shovkat Buzrikov, Ishmumin YadgarovTop and side views of pristine SWCNT(8,0) (a) and Fe 13 -, Pt 13 -, and F 13 -filled SWCNTs (b–d), initially saturated with H atoms (left). Temperature-dependent gravimetric hydrogen density (wt%) for pristine and doped SWCNTs (right).