(Invited) Molecular Requirement for Compounds Toward Facile Isolation of Adsorbent-Free Semiconducting Single-Walled Carbon Nanotubes Based on Supramolecular Chemistry

Abstract

The separation/purification of semiconducting single-walled carbon nanotubes (sem-SWNTs) with high quality is one of the most important issues in the science and technology of carbon nanotubes[1-5]. We have already reported that supramolecular coordination polymer and hydrogen bonding systems as well as use of flavin molecules are powerful methods for highly efficient adsorbent-free sem-SWNT separation. Here, we describe a molecular requirement of flavins (Bitamin B2 analogs)/isoallozadines for facile isolation of adsorbent-free sem-SWNTs based on supramolecular chemistry. Together with experimental results and molecular mechanics and molecular dynamics simulations, we will report a computer simulation study on this separation.