Design Rules for Graphene and Carbon Nanotube Solvents and Dispersants

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

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

21 Citations (Scopus)

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 - 27 Feb 2018

Keywords

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

ASJC Scopus subject areas

General Materials Science
General Engineering
General Physics and Astronomy

Access to Document

10.1021/acsnano.7b05159

Cite this

@article{b7f7eeefbbf043a98f6bd0b94e46052e,

title = "Design Rules for Graphene and Carbon Nanotube Solvents and Dispersants",

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.",

keywords = "computer simulation, corresponding distances method, graphene solvents, potential of mean force, solvent design",

author = "Adam Hardy and James Dix and Williams, {Christopher D.} and Siperstein, {Flor R.} and Paola Carbone and Henry Bock",

year = "2018",

month = feb,

day = "27",

doi = "10.1021/acsnano.7b05159",

language = "English",

volume = "12",

pages = "1043--1049",

journal = "ACS Nano",

issn = "1936-0851",

publisher = "American Chemical Society",

number = "2",

}

TY - JOUR

T1 - Design Rules for Graphene and Carbon Nanotube Solvents and Dispersants

AU - Hardy, Adam

AU - Dix, James

AU - Williams, Christopher D.

AU - Siperstein, Flor R.

AU - Carbone, Paola

AU - Bock, Henry

PY - 2018/2/27

Y1 - 2018/2/27

N2 - 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.

AB - 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.

KW - computer simulation

KW - corresponding distances method

KW - graphene solvents

KW - potential of mean force

KW - solvent design

UR - http://www.scopus.com/inward/record.url?scp=85042656595&partnerID=8YFLogxK

U2 - 10.1021/acsnano.7b05159

DO - 10.1021/acsnano.7b05159

M3 - Article

C2 - 29361221

AN - SCOPUS:85042656595

SN - 1936-0851

VL - 12

SP - 1043

EP - 1049

JO - ACS Nano

JF - ACS Nano

IS - 2

ER -

Design Rules for Graphene and Carbon Nanotube Solvents and Dispersants

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this