From chemisorption to physisorption: A synergistic computational screening approach to exploit N-rich covalent organic frameworks for methyl iodide capture

Tianyu Guo; Xiaoyu Wu; Chenrui Li; Liangdan Zhao; Mingrui Zuo; Lin Liu; Lin-Bing Sun; Lifeng Ding

doi:10.1016/j.cej.2025.170758

From chemisorption to physisorption: A synergistic computational screening approach to exploit N-rich covalent organic frameworks for methyl iodide capture

Tianyu Guo
, Xiaoyu Wu^*
, Chenrui Li
, Liangdan Zhao
, Mingrui Zuo
, Lin Liu
, Lin-Bing Sun^*
, Lifeng Ding^*

^*Corresponding author for this work

Xi'an Jiaotong‐Liverpool University

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	170758
Journal	Chemical Engineering Journal
Volume	170758
DOIs	https://doi.org/10.1016/j.cej.2025.170758
Publication status	Published - 1 Dec 2025

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10.1016/j.cej.2025.170758

Cite this

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title = "From chemisorption to physisorption: A synergistic computational screening approach to exploit N-rich covalent organic frameworks for methyl iodide capture",

author = "Tianyu Guo and Xiaoyu Wu and Chenrui Li and Liangdan Zhao and Mingrui Zuo and Lin Liu and Lin-Bing Sun and Lifeng Ding",

year = "2025",

month = dec,

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doi = "10.1016/j.cej.2025.170758",

language = "English",

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journal = "Chemical Engineering Journal",

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AU - Guo, Tianyu

AU - Wu, Xiaoyu

AU - Li, Chenrui

AU - Zhao, Liangdan

AU - Zuo, Mingrui

AU - Liu, Lin

AU - Sun, Lin-Bing

AU - Ding, Lifeng

PY - 2025/12/1

Y1 - 2025/12/1

U2 - 10.1016/j.cej.2025.170758

DO - 10.1016/j.cej.2025.170758

M3 - Article

SN - 1385-8947

VL - 170758

SP - 170758

JO - Chemical Engineering Journal

JF - Chemical Engineering Journal

ER -