Carbon nanotubes are remarkable objects that look set to revolutionize the technological
landscape in the near future. Tomorrowʼs society will be shaped by nanotube applications …

The adsorption and dissociative reaction of methanol on B 12 N 12 fullerene-like nanocage
is investigated by using density functional calculations. Equilibrium geometries, adsorption …

Soil humic substances (HS) stabilize carbon nanotube (CNT) dispersions, a mechanism we
hypothesized arose from the surfactive nature of HS. Experiments dispersing multi-walled …

In this work, we employed density functional theory (DFT) calculations to investigate
methanol adsorption and decomposition on the surface of a carbon-doped boron nitride …

Ab initio first-principle calculations, including dispersion correction, were carried out to
investigate Ni (Pd)-decorated graphene for its application as methanol storage materials …

The adsorption energies and orientation of methanol on graphene are determined from first‐
principles density functional calculations. We employ the well‐tested vdW‐DF method that …

The systems of open-ended carbon nanotubes (CNTs) immersed in methanol-water solution
are studied by molecular dynamics simulations. For the (6, 6) CNT, nearly pure methanol is …

The thiocyanate anion (SCN−) adsorption capacity of zigzag single-walled boron nitride
nanotubes (SWBNNTs) is studied via first-principles theory. Binding energy corresponding …

Presented are thermal desorption spectroscopy (TDS) data of alcohol adsorption on single-
wall carbon nanotubes (CNTs) supported on silica. The adsorption kinetics of methanol …

The interaction of acetone with single wall carbon nanotubes (SWCNTs) at low temperatures
was studied by a combination of temperature programmed desorption (TPD) and dispersion …