Lin L.-C.Grossman J.C.LI-CHIANG LIN2022-05-242022-05-242015https://www.scopus.com/inward/record.uri?eid=2-s2.0-84942456148&doi=10.1038%2fncomms9335&partnerID=40&md5=094b603bf37fceb695cf274682a2391ahttps://scholars.lib.ntu.edu.tw/handle/123456789/611506The intrinsic defects in reduced graphene oxide (rGO) formed during reduction processes can act as nanopores, making rGO a promising ultrathin-film membrane candidate for separations. To assess the potential of rGO for such applications, molecular dynamics techniques are employed to understand the defect formation in rGO and their separation performance in water desalination and natural gas purification. We establish the relationship between rGO synthesis parameters and defect sizes, resulting in a potential means to control the size of nanopores in rGO. Furthermore, our results show that rGO membranes obtained under properly chosen synthesis conditions can achieve effective separations and provide significantly higher permeate fluxes than currently available membranes. ? 2015 Macmillan Publishers Limited. All rights reserved.graphene oxidenanofilmnatural gasoxygenwatercarbondesalinationfilmmembranemolecular analysispore spacepurificationreductionArticlemolecular dynamicsnanoporeoxygen concentrationparticle sizeseparation techniquesimulationsynthesis[SDGs]SDG6journal article10.1038/ncomms93352-s2.0-84942456148