Fig. 1: Complex-chemistry concept of chemical doping of carbon nanotubes.
From: Complex chemistry of carbon nanotubes toward efficient and stable p-type doping
a Schematic of the concept of chemical doping of carbon nanotubes (CNTs). b Chemical structures of the protonic acids used in this study. c Molecular structures of the anions used in this study with their electrostatic potential (ESP) mapping as molecular surface, and the order of chemical hardness. Optimization of the structures, ESP mapping, and calculation of chemical hardness were performed using density functional theory at B3LYP/6-31 G(d,p) GD3 levels. Cl−, NO3−, CH3COO−, and SO42− are anion species originating from the protonic acids shown in (b). TFSI− and NFSI−are anion species used for the anion replacement shown in Fig. 5. Larger-in-size anions tend to provide smaller chemical hardness values.
