Computational Studies of Adsorption of Toxic Molecules and Anions on the Surface of Doped and Functionalized Carbon Nanotubes

摘要

21.1 Introduction Removal of toxic molecules and ions of heavy metals from environment is an urgent technological requirement of human civilization. One of the most promising methods of such kind of removal is adsorption of toxic molecules by artificial adsorbents [1, 2]. The search for new adsorbent materials which can allow economically efficient schemes of such removal is a topical research task [1,3].