Details
| Original language | English |
|---|---|
| Pages (from-to) | 3207-3219 |
| Number of pages | 13 |
| Journal | Chemistry of materials |
| Volume | 33 |
| Issue number | 9 |
| Early online date | 22 Apr 2021 |
| Publication status | Published - 11 May 2021 |
| Externally published | Yes |
Abstract
In addition to a great swelling ability, layered silicates also allow the functionalization of their interlayer region to form various robust green materials that are used as CO2 adsorbents, drug carriers, or catalysts. Here, the unique magadiite structure, which has resisted elucidation despite many attempts and applications the material offers, is finally described. A material-specific strategy allowed the use of 3D electron diffraction which led to the success of deciphering the atomic structure. In order to enable an ab initio structure solution of the electron beam sensitive material, a sodium-free dehydrated form of magadiite was synthetically isolated, and, from that, it was subsequently possible to derive a structure model for the sodium form of magadiite, later successfully refined against powder X-ray diffraction data. Furthermore, a geometry optimization and simulations of spectroscopic data with DFT methods confirm the obtained crystal structure of sodium magadiite. These results finally prompted a detailed description of the layers and of the chemically active interlayer region and provide a huge impact toward the design of new and more efficient materials based on functionalized magadiite and related structures.
ASJC Scopus subject areas
- Chemistry(all)
- General Chemistry
- Chemical Engineering(all)
- General Chemical Engineering
- Materials Science(all)
- Materials Chemistry
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In: Chemistry of materials, Vol. 33, No. 9, 11.05.2021, p. 3207-3219.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - The Elusive Structure of Magadiite, Solved by 3D Electron Diffraction and Model Building
AU - Krysiak, Yaşar
AU - Maslyk, Marcel
AU - Silva, Bruna Nádia
AU - Plana-Ruiz, Sergi
AU - Moura, Hipassia M.
AU - Munsignatti, Erica O.
AU - Vaiss, Viviane S.
AU - Kolb, Ute
AU - Tremel, Wolfgang
AU - Palatinus, Lukáš
AU - Leitão, Alexandre Amaral
AU - Marler, Bernd
AU - Pastore, Heloise O.
N1 - Funding Information: Y.K. is very grateful to the Stipendienstiftung Rheinland-Pfalz and Forschung und Technologietransfer Universität Mainz for financial support. B.N.N.S., V.S.V., H.M.M., A.A.L., and H.O.P. thank to the National Council for Research and Technology (CNPq productivity grant for AAL and HOP and research grant process 309729/2017-3 for fellowships). This research was supported by the Czech Science Foundation (project number 19-08032S), by the Foundation for Research in the State of Minas Gerais (FAPEMIG, CEX APQ 02191/2017), and by the Foundation for Research in the State of São Paulo (FAPESP 14/06942-0), Brazil. The National Center for High Performance Data Processing (CENAPAD-SP, Brazil) is acknowledged for the computation facilities.
PY - 2021/5/11
Y1 - 2021/5/11
N2 - In addition to a great swelling ability, layered silicates also allow the functionalization of their interlayer region to form various robust green materials that are used as CO2 adsorbents, drug carriers, or catalysts. Here, the unique magadiite structure, which has resisted elucidation despite many attempts and applications the material offers, is finally described. A material-specific strategy allowed the use of 3D electron diffraction which led to the success of deciphering the atomic structure. In order to enable an ab initio structure solution of the electron beam sensitive material, a sodium-free dehydrated form of magadiite was synthetically isolated, and, from that, it was subsequently possible to derive a structure model for the sodium form of magadiite, later successfully refined against powder X-ray diffraction data. Furthermore, a geometry optimization and simulations of spectroscopic data with DFT methods confirm the obtained crystal structure of sodium magadiite. These results finally prompted a detailed description of the layers and of the chemically active interlayer region and provide a huge impact toward the design of new and more efficient materials based on functionalized magadiite and related structures.
AB - In addition to a great swelling ability, layered silicates also allow the functionalization of their interlayer region to form various robust green materials that are used as CO2 adsorbents, drug carriers, or catalysts. Here, the unique magadiite structure, which has resisted elucidation despite many attempts and applications the material offers, is finally described. A material-specific strategy allowed the use of 3D electron diffraction which led to the success of deciphering the atomic structure. In order to enable an ab initio structure solution of the electron beam sensitive material, a sodium-free dehydrated form of magadiite was synthetically isolated, and, from that, it was subsequently possible to derive a structure model for the sodium form of magadiite, later successfully refined against powder X-ray diffraction data. Furthermore, a geometry optimization and simulations of spectroscopic data with DFT methods confirm the obtained crystal structure of sodium magadiite. These results finally prompted a detailed description of the layers and of the chemically active interlayer region and provide a huge impact toward the design of new and more efficient materials based on functionalized magadiite and related structures.
UR - http://www.scopus.com/inward/record.url?scp=85106414700&partnerID=8YFLogxK
U2 - 10.1021/acs.chemmater.1c00107
DO - 10.1021/acs.chemmater.1c00107
M3 - Article
AN - SCOPUS:85106414700
VL - 33
SP - 3207
EP - 3219
JO - Chemistry of materials
JF - Chemistry of materials
SN - 0897-4756
IS - 9
ER -