Materials, Volume 13, Issue 15 (August-1 2020) – 198 articles
Cover Story (view full-size image): A new type of zeolite-based covalent organic frameworks (ZCOFs) was designed under different topologies and linkers, including thiophene, furan, and pyrrole. Consequently, 300 ZCOF structures were constructed and simulated. Among these structures, 11 preliminary structures were selected to evaluate the CH4 adsorption ability in a pressure ranging from 1 to 85 bar at a temperature of 298 K. The result reveals that two ZCOF structures, JST-S 183 v/v (65-5.8 bar) and NPT-S 177 v/v (35-1 bar), are considered potential adsorbents for methane storage. Furthermore, the thermodynamic stability of representative structures is also checked based on quantum mechanical calculations. View this paper
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