Pore-size dominated electrochemical properties of covalent triazine frameworks as anode materials for K-ion batteries.

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ID: 64055
2019
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Abstract
Two homologous covalent triazine frameworks (CTFs) have been developed for the first time as anode materials for high performance K-ion batteries (KIBs). The two-dimensional sheet-like structure as well as the regular channels in CTFs enable the process of intercalation/deintercalation of K-ions into/from the CTF interlayers reversibly. Particularly, a size effect of the porous structure is found to dominate the K-ion storage behavior. CTF-0 with a smaller pore size displays a higher K-ion storage capacity than CTF-1. Molecular simulations reveal the operation mechanism, showing that the depotassiation process in CTF-0 is exothermic while the depotassiation in CTF-1 is endothermic, which makes the deintercalation of K-ions from CTF-0 more feasible than from CTF-1 and contributes to the higher reversible capacity of CTF-0. This work provides a promising strategy for rational design of high-performance organic anode materials by structural modulation at the molecular scale.
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li2019poresizechemical Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Li, Shu-Ying;Li, Wen-Hao;Wu, Xing-Long;Tian, Yuyang;Yue, Jieyu;Zhu, Guangshan;
Journal Chemical science
Year 2019
DOI
10.1039/c9sc02340b
URL
Keywords
silver crystal structure dft calculations copper docking studies triazine

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