  Recent air pollution issues have raised significant attention to develop
efficient air filters, and one of the most promising candidates is that enabled
by nanofibers. We explore here selective molecular capture mechanism for
volatile organic compounds in carbon nanotube networks by performing atomistic
simulations. The results are discussed with respect to the two key parameters
that define the performance of nanofiltration, i.e. the capture efficiency and
flow resistance, which validate the advantage of carbon nanotube networks with
high surface-to-volume ratio and atomistically smooth surfaces. We also reveal
the important roles of interfacial adhesion and diffusion that govern selective
gas transport through the network.
