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Atomic Mechanisms of Cation Adsorption/Exchange in Octahedral Molecular Sieves.

  • Li, Chenghang1
  • Yuan, Yifei1
  • Li, Penghui2
  • Yang, Keqin1
  • Ren, Qingqing1
  • Nie, Anmin2
  • Liu, Suya3
  • Lazar, Sorin4
  • Meingast, Arno4
  • Wang, Shun1
  • 1 College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou 325035, People's Republic of China. , (China)
  • 2 Center for High Pressure Science, State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, People's Republic of China. , (China)
  • 3 Thermo Fisher Scientific, Jinke Road No. 2517, Shanghai 201206, People's Republic of China. , (China)
  • 4 Thermo Fisher Scientific, Achtseweg Noord 5, 5156 Eindhoven, The Netherlands. , (Netherlands)
Published Article
ACS Nano
American Chemical Society
Publication Date
Dec 15, 2022
DOI: 10.1021/acsnano.2c10682
PMID: 36521057


Octahedral molecular sieves (OMSs) based on MnO2 have been widely studied in the fields of deionization, geochemistry, and energy storage due to their microporous tunnel framework capable of adsorbing and exchanging various ions, particularly cations. The understanding of cation adsorption/exchange within OMS tunnels demands atomic-scale exploration, which has been scarcely reported. Here, we disclose how various cations (K+/Ag+/Na+) interplay within the OMS tunnel space on an atomic scale. Not only are the lattice sites for each adsorbed cation species pinpointed but the scenario of dual-cation adsorption within single tunnels is also demonstrated, together with the discovery of characteristic concentration-dependent cation ordering. Moreover, compared with the theoretical parent tunnel phase, the heterogeneous tunnels, though sparsely distributed, exhibit a distinct yet orderly cationic accommodation, highlighting the non-negligible role of tunnel heterogeneity in regulating OMS physiochemistry. Our findings clarify the long-existing ambiguities in nano- and atomic-scale science of the ion adsorption process in OMS materials and are expected to inspire their structural/compositional engineering toward functionality enhancement in various fields.

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