Electronic and mechanical properties of (6, 1) single-walled carbon nanotubes with different tube diameters: a theoretical study
We investigated the electronic and mechanical properties of single-walled carbon
nanotubes (SWCNTs) with different tube diameters using density functional theory (DFT) …
nanotubes (SWCNTs) with different tube diameters using density functional theory (DFT) …
Structural, optoelectronic and charge transport properties of the complexes of indigo encapsulated in carbon nanotubes
A Joshi, CN Ramachandran - Physical Chemistry Chemical Physics, 2018 - pubs.rsc.org
Using the dispersion-corrected density functional B97D and 6-31g (d, p) basis set, the
structural, stability, electronic, optical and charge transport properties of the complexes …
structural, stability, electronic, optical and charge transport properties of the complexes …