title: Corrugated graphene layers for sea water desalination using capacitive deionization.
abstract: The effect of the electric field and surface morphology of corrugated graphene (GE) layers on their capacitive deionization process is studied using molecular dynamics simulations. Deionization performances are evaluated in terms of water flow rate and ion adsorption and explained by analysing the water density distribution, radial distribution function and distribution of the ions inside the GE layers. The simulation results reveal that corrugation of GE layers reduces the water flow rate but largely enhances ion adsorption in comparison to the flat GE layers. Such enhancement is mainly due to the adsorption of ions on the GE layers due to the anchoring effect in the regions with wide interlayer distances. Moreover, it reveals that the entrance configuration of the GE layers also has a significant effect on the performance of deionization. Overall, the results from this study will be helpful in designing effective electrode configurations for capacitive deionization.
authors.affiliation: Environmental Process Modeling Center, Nanyang Environment and Water Research Institute, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore. kzhou@ntu.edu.sg and Interdisciplinary Graduate School, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore.
authors.forename: Madhavi
authors.initials: M
authors.lastname: Dahanayaka
authors.affiliation: Environmental Process Modeling Center, Nanyang Environment and Water Research Institute, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore. kzhou@ntu.edu.sg and School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore.
authors.forename: Bo
authors.initials: B
authors.lastname: Liu
authors.affiliation: School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore.
authors.forename: Zhongqiao
authors.initials: Z
authors.lastname: Hu
authors.affiliation: School of Material Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore.
authors.forename: Zhong
authors.initials: Z
authors.lastname: Chen
authors.affiliation: Environmental Process Modeling Center, Nanyang Environment and Water Research Institute, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore. kzhou@ntu.edu.sg and School of Civil and Environmental Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore.
authors.forename: Adrian Wing-Keung
authors.initials: AW
authors.lastname: Law
authors.affiliation: Environmental Process Modeling Center, Nanyang Environment and Water Research Institute, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore. kzhou@ntu.edu.sg and School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore.
authors.forename: Kun
authors.identifier: http://orcid.org/0000-0002-3047-0869
authors.initials: K
authors.lastname: Zhou