Article ID Journal Published Year Pages File Type
5379960 Chemical Physics Letters 2015 6 Pages PDF
Abstract

- Carbon nanotubes can be made potential materials for adsorbing SOx gases by proper doping and selection of chirality.
- Carbon nanotubes show many adsorption sites with relatively high adsorption energies.
- Al-doped CNT(9,0) exhibits a large change in the band gap energy upon adsorption of SOx gases.
- Al-doped graphene sheets have adsorption energies comparable to those of the nanotubes.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
First principle calculations of the chemisorption of SOx on doped carbon nanotubes and graphene
Authors
, ,