Jump to main content
Jump to site search

Issue 38, 2013
Previous Article Next Article

First principles study of the permeability of graphene to hydrogen atoms

Author affiliations

Abstract

Using calculations from first principles and harmonic transition state theory, we investigated the permeability of a single graphene sheet to protons and hydrogen atoms. Our results show that while protons can readily pass through a graphene sheet with a low tunneling barrier, for hydrogen atoms the barriers are substantially higher. At the same time, the presence of defects in the membrane can significantly reduce the penetration barrier in a region that extends beyond the defect site itself.

Graphical abstract: First principles study of the permeability of graphene to hydrogen atoms

Back to tab navigation

Article information


Submitted
03 Jun 2013
Accepted
30 Jul 2013
First published
31 Jul 2013

Phys. Chem. Chem. Phys., 2013,15, 16132-16137
Article type
Paper

First principles study of the permeability of graphene to hydrogen atoms

M. Miao, M. B. Nardelli, Q. Wang and Y. Liu, Phys. Chem. Chem. Phys., 2013, 15, 16132
DOI: 10.1039/C3CP52318G

Social activity

Search articles by author

Spotlight

Advertisements