Unraveling the atomic structure of ultrafine iron clusters

Handle URI:
http://hdl.handle.net/10754/325373
Title:
Unraveling the atomic structure of ultrafine iron clusters
Authors:
Wang, Hongtao; Li, Kun; Yao, Yingbang; Wang, Qingxiao; Cheng, Yingchun; Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Zhang, Xixiang ( 0000-0002-3478-6414 ) ; Yang, Wei
Abstract:
Unraveling the atomic structures of ultrafine iron clusters is critical to understanding their size-dependent catalytic effects and electronic properties. Here, we describe the stable close-packed structure of ultrafine Fe clusters for the first time, thanks to the superior properties of graphene, including the monolayer thickness, chemical inertness, mechanical strength, electrical and thermal conductivity. These clusters prefer to take regular planar shapes with morphology changes by local atomic shuffling, as suggested by the early hypothesis of solid-solid transformation. Our observations differ from observations from earlier experimental study and theoretical model, such as icosahedron, decahedron or cuboctahedron. No interaction was observed between Fe atoms or clusters and pristine graphene. However, preferential carving, as observed by other research groups, can be realized only when Fe clusters are embedded in graphene. The techniques introduced here will be of use in investigations of other clusters or even single atoms or molecules.
KAUST Department:
Advanced Nanofabrication, Imaging and Characterization Core Lab; Computational Physics and Materials Science (CPMS)
Citation:
Wang H, Li K, Yao Y, Wang Q, Cheng Y, et al. (2012) Unraveling the Atomic Structure of Ultrafine Iron Clusters. Sci Rep 2. doi:10.1038/srep00995.
Publisher:
Nature Publishing Group
Journal:
Scientific Reports
Issue Date:
18-Dec-2012
DOI:
10.1038/srep00995
PubMed ID:
23251781
PubMed Central ID:
PMC3524523
Type:
Article
ISSN:
20452322
Appears in Collections:
Articles; Advanced Nanofabrication, Imaging and Characterization Core Lab; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorWang, Hongtaoen
dc.contributor.authorLi, Kunen
dc.contributor.authorYao, Yingbangen
dc.contributor.authorWang, Qingxiaoen
dc.contributor.authorCheng, Yingchunen
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorZhang, Xixiangen
dc.contributor.authorYang, Weien
dc.date.accessioned2014-08-27T09:49:45Z-
dc.date.available2014-08-27T09:49:45Z-
dc.date.issued2012-12-18en
dc.identifier.citationWang H, Li K, Yao Y, Wang Q, Cheng Y, et al. (2012) Unraveling the Atomic Structure of Ultrafine Iron Clusters. Sci Rep 2. doi:10.1038/srep00995.en
dc.identifier.issn20452322en
dc.identifier.pmid23251781en
dc.identifier.doi10.1038/srep00995en
dc.identifier.urihttp://hdl.handle.net/10754/325373en
dc.description.abstractUnraveling the atomic structures of ultrafine iron clusters is critical to understanding their size-dependent catalytic effects and electronic properties. Here, we describe the stable close-packed structure of ultrafine Fe clusters for the first time, thanks to the superior properties of graphene, including the monolayer thickness, chemical inertness, mechanical strength, electrical and thermal conductivity. These clusters prefer to take regular planar shapes with morphology changes by local atomic shuffling, as suggested by the early hypothesis of solid-solid transformation. Our observations differ from observations from earlier experimental study and theoretical model, such as icosahedron, decahedron or cuboctahedron. No interaction was observed between Fe atoms or clusters and pristine graphene. However, preferential carving, as observed by other research groups, can be realized only when Fe clusters are embedded in graphene. The techniques introduced here will be of use in investigations of other clusters or even single atoms or molecules.en
dc.language.isoenen
dc.publisherNature Publishing Groupen
dc.rightsThis work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/3.0/en
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/en
dc.titleUnraveling the atomic structure of ultrafine iron clustersen
dc.typeArticleen
dc.contributor.departmentAdvanced Nanofabrication, Imaging and Characterization Core Laben
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalScientific Reportsen
dc.identifier.pmcidPMC3524523en
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionInstitute of Applied Mechanics, Zhejiang University, Hangzhou 310027, Chinaen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorLi, Kunen
kaust.authorYao, Yingbangen
kaust.authorWang, Qingxiaoen
kaust.authorCheng, Yingchunen
kaust.authorSchwingenschlögl, Udoen
kaust.authorZhang, Xixiangen
kaust.authorWang, Hongtaoen

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