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On the organization and thermal behavior of functional groups on Ti3C2 MXene surfaces in vacuum
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Drexel University, PA 19104 USA.
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Drexel University, PA 19104 USA.
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2018 (English)In: 2D MATERIALS, ISSN 2053-1583, Vol. 5, no 1, article id 015002Article in journal (Refereed) Published
Abstract [en]

The two-dimensional (2D) MXene Ti(3)C(2)Tx is functionalized by surface groups (T-x) that determine its surface properties for, e.g. electrochemical applications. The coordination and thermal properties of these surface groups has, to date, not been investigated at the atomic level, despite strong variations in the MXene properties that are predicted from different coordinations and from the identity of the functional groups. To alleviate this deficiency, and to characterize the functionalized surfaces of single MXene sheets, the present investigation combines atomically resolved in situ heating in a scanning transmission electron microscope (STEM) and STEM simulations with temperature-programmed x-ray photoelectron spectroscopy (TP-XPS) in the room temperature to 750 degrees C range. Using these techniques, we follow the surface group coordination at the atomic level. It is concluded that the F and O atoms compete for the DFT-predicted thermodynamically preferred site and that at room temperature that site is mostly occupied by F. At higher temperatures, F desorbs and is replaced by O. Depending on the O/F ratio, the surface bare MXene is exposed as F desorbs, which enables a route for tailored surface functionalization.

Place, publisher, year, edition, pages
Institute of Physics Publishing (IOPP), 2018. Vol. 5, no 1, article id 015002
Keywords [en]
MXene; Ti3C2Tx in situ heating; STEM; temperature-programmed XPS; surface functionalization
National Category
Materials Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-142131DOI: 10.1088/2053-1583/aa89cdISI: 000412302100002OAI: oai:DiVA.org:liu-142131DiVA, id: diva2:1151727
Note

Funding Agencies|Swedish Research Council [621-20124359, 622-2008-405, 2013-5580, 2016-04412, 642-2013-8020]; Knut and Alice Wallenbergs Foundation [KAW 2015.0043]; Swedish Foundation for Strategic Research (SSF) [RIF14-0074]; Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University [2009 00971]

Available from: 2017-10-24 Created: 2017-10-24 Last updated: 2017-11-16Bibliographically approved

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Persson, IngemarNäslund, Lars-ÅkeHalim, JosephBarsoum, MichelDarakchieva, VanyaPalisaitis, JustinasRosén, JohannaPersson, Per O A
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