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dc.contributor.authorLiu, Dong
dc.contributor.authorLiu, Lingmei
dc.contributor.authorWu, Kepeng
dc.contributor.authorZhou, Jinfei
dc.contributor.authorCheng, Qingpeng
dc.contributor.authorLv, Jia
dc.contributor.authorCao, Tong
dc.contributor.authorZhang, Daliang
dc.contributor.authorLin, Fang
dc.contributor.authorHan, Yu
dc.date.accessioned2021-08-25T07:57:29Z
dc.date.available2021-08-25T07:57:29Z
dc.date.issued2021-08-24
dc.date.submitted2021-06-22
dc.identifier.citationLiu, D., Liu, L., Wu, K., Zhou, J., Cheng, Q., Lv, J., … Han, Y. (2021). Possible Misidentification of Heteroatom Species in Scanning Transmission Electron Microscopy Imaging of Zeolites. The Journal of Physical Chemistry C. doi:10.1021/acs.jpcc.1c05516
dc.identifier.issn1932-7447
dc.identifier.issn1932-7455
dc.identifier.doi10.1021/acs.jpcc.1c05516
dc.identifier.urihttp://hdl.handle.net/10754/670759
dc.description.abstractAtomic-resolution scanning transmission electron microscopy (STEM) can be used to determine the location and state of heteroatom species in zeolites, which is essential for understanding their catalytic behavior. However, because of the complexity of zeolite structures and low heteroatom content, STEM images must be carefully interpreted to avoid misidentification. In this work, Fe-doped silicalite-1 was used as an example to illustrate this problem by combining STEM image simulation and experiments. Simulation results indicated that, unless the specimen has only one unit cell thickness, it is impossible to reliably identify Fe atoms in a zeolite framework using high-angle annular dark-field STEM (HAADF-STEM). Experimental HAADF-STEM images could not distinguish Fe-doped silicalite-1 and Fe-free silicalite-1 samples, thus confirming the infeasibility of using HAADF-STEM to determine the preferential occupancy of Fe between different crystallographic sites. It was also found that integrated differential phase contrast STEM (iDPC-STEM) could detect extraframework Fe species located in microporous channels only when the physically adsorbed volatile organic compounds were properly removed before imaging. The findings of this investigation provide important precautions and guidance for related research work.
dc.description.sponsorshipThis research is supported by the AMPM CCF fund (FCC/1/1972-43-01) to Y.H. from King Abdullah University of Science and Technology and the research grant to F.L. from the National Natural Science Foundation of China (No. 61971201).
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttps://pubs.acs.org/doi/10.1021/acs.jpcc.1c05516
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.jpcc.1c05516.
dc.titlePossible Misidentification of Heteroatom Species in Scanning Transmission Electron Microscopy Imaging of Zeolites
dc.typeArticle
dc.contributor.departmentAdvanced Membranes and Porous Materials Research Center
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.contributor.departmentChemical Science Program
dc.identifier.journalThe Journal of Physical Chemistry C
dc.rights.embargodate2022-08-24
dc.eprint.versionPost-print
dc.contributor.institutionMulti-scale Porous Materials Center, Institute of Advanced Interdisciplinary Studies, & School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, China
dc.contributor.institutionCollege of Electronic Engineering, South China Agricultural University, Guangzhou, Guangdong 510642, China
kaust.personCheng, Qingpeng
kaust.personHan, Yu
kaust.grant.numberFCC/1/1972-43-01
dc.date.accepted2021-08-13
kaust.acknowledged.supportUnitCCF
dc.date.published-online2021-08-24
dc.date.published-print2021-09-02


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