Zeolitic imidazolate frameworks as capacitive deionization electrodes for water desalination and Cr(VI) adsorption: a molecular simulation study

• Main Authors: Hong, Terence Zhi Xiang, Dahanayaka, Madhavi, Liu, Bo, Law, Adrian Wing-Keung, Zhou, Kun
• Other Authors: Interdisciplinary Graduate School (IGS)
• Format: Article
• Language: English
• Published: 2022
• Subjects: Engineering::Environmental engineering; Molecular Dynamics Simulation; Capacitive Deionization
• Online Access: https://hdl.handle.net/10356/159956
• Institution: Nanyang Technological University

In this study, molecular dynamics simulation is used to investigate the effect of metal atoms in Zeolitic imidazolate frameworks (ZIFs) on capacitive deionization (CDI) desalination using the same organic linker but with four different metal atoms as the surface of the electrodes in CDI desalination...