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Ga and Ge-doped graphene structures: A DFT study of sensor applications for methanol
Density functional theory calculations have been carried out to investigate the adsorption of methanol on the surface of Ga and Ge-doped graphene clusters and in order to explore the potential of doped graphene as a gas ...
A density functional theory study of molecular H2S adsorption on (4,0) SWCNT doped with Ge, Ga and B
(Elsevier B.V., 2021)
The molecular adsorption of hydrogen sulfide has been investigated theoretically by using Density Functional Theory for gallium (Ga), germanium (Ge) and boron (B) doped (4,0) single-walled carbon nanotubes (SWCNTs). The ...