Design Rules for Graphene and Carbon-Nanotube Solvents and Dispersants

Adam Hardy; James Dix; Christopher D Williams; Flor Siperstein; Paola Carbone; Henry Bock

doi:10.1021/acsnano.7b05159

Design Rules for Graphene and Carbon-Nanotube Solvents and Dispersants

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

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Abstract

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 language	English
Pages (from-to)	1043-1049
Number of pages	7
Journal	ACS Nano
Volume	12
Issue number	2
Early online date	23 Jan 2018
DOIs	https://doi.org/10.1021/acsnano.7b05159
Publication status	Published - 23 Jan 2018

Keywords

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

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10.1021/acsnano.7b05159

graphene-solvents-finalAccepted author manuscript, 986 KB

Graphene-based membranes
Budd, P. (PI), Carbone, P. (CoI), Casiraghi, C. (CoI), Grieve, B. (CoI), Haigh, S. (CoI), Holmes, S. (CoI), Jivkov, A. (CoI), Kinloch, I. (CoI), Raveendran Nair, R. (CoI), Schroeder, S. (CoI), Siperstein, F. (CoI) & Vijayaraghavan, A. (CoI)
1/07/13 → 30/06/18
Project: Research

Cite this

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AU - Bock, Henry

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KW - computer simulation

KW - corresponding distances method

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KW - potential of mean force

KW - solvent design

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Design Rules for Graphene and Carbon-Nanotube Solvents and Dispersants

Abstract

Keywords

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Graphene-based membranes

Cite this