Nanoporous Graphene Sheets for Gas Separation

Authored by: Andreas W. Hauser , Peter Schwerdtfeger

Graphene Science Handbook

Print publication date:  April  2016
Online publication date:  April  2016

Print ISBN: 9781466591233
eBook ISBN: 9781466591240
Adobe ISBN:

10.1201/b19674-29

 Download Chapter

 

Abstract

Chemical inertness and an essentially two-dimensional geometry make porous graphene sheets a promising material for gas separation applications. Selectivity toward a certain gas species is mainly determined by molecular size, which makes the pore diameter the essential parameter for fine-tuning of the separating behavior. However, the transition of molecules through graphene pores in the sub-nanometer regime is an intrinsically quantum-mechanical process and needs to be looked at using computational chemistry. Effects of surface adsorption, geometry deformation, and even quantum tunneling play an important role in certain systems. This is illustrated by the application of density functional theory to finite pore models and a selection of industrially relevant gases.

 Cite
Search for more...
Back to top

Use of cookies on this website

We are using cookies to provide statistics that help us give you the best experience of our site. You can find out more in our Privacy Policy. By continuing to use the site you are agreeing to our use of cookies.