Design Rules for Graphene and Carbon Nanotube Solvents and Dispersants

Adam Hardy, James Dix, Christopher D. Williams, Flor R. Siperstein, Paola Carbone, Henry Bock*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

20 Citations (Scopus)


The constantly widening industrial applications of carbon-based nanomaterials puts into sharp perspective the lack of true solvents in which the materials spontaneously exfoliate to individual molecules. This work shows that the different geometry of graphene compared to that of carbon nanotubes can change the potency of a molecule to act as a solvent or dispersant. Through analysis of the structure/function relationships, we derive a number of design rules that will aid the identification of the best solvent or dispersant candidates.

Original languageEnglish
Pages (from-to)1043-1049
Number of pages7
JournalACS Nano
Issue number2
Early online date23 Jan 2018
Publication statusPublished - 27 Feb 2018


  • computer simulation
  • corresponding distances method
  • graphene solvents
  • potential of mean force
  • solvent design

ASJC Scopus subject areas

  • Materials Science(all)
  • Engineering(all)
  • Physics and Astronomy(all)


Dive into the research topics of 'Design Rules for Graphene and Carbon Nanotube Solvents and Dispersants'. Together they form a unique fingerprint.

Cite this