Abstract
The precise control of the pore sizes at an atomic level has proved to be the biggest challenge of all for nanoporous graphene membranes for gas separation. Here, we propose a simple method to realize the selective molecular sieving through originally nonselective graphene nanopores by adding charges on the graphene surfaces. Molecular dynamic simulations show that the CO2/N2 selectivity of the graphene nanopore with a diameter of 0.52 nm increases up to 22.78 for a surface charge density of only -5.934 e/nm2. The selectivity improvement is related to the distinctive adsorption intensities of CO2 and N2 molecules on the charge-loaded graphene surfaces. This work points toward a promising road to tune the selectivity of graphene nanopores and therefore promotes the realization of porous graphene membranes and other two-dimensional porous membranes by accepting the pores with a wide size distribution and reducing the requirements in the control of pore sizes.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
