Journal article
Direct Measurement of Surface Termination Groups and Their Connectivity in the 2D MXene V2CTx Using NMR Spectroscopy
Journal of physical chemistry. C, v 119(24), pp 13713-13720
18 Jun 2015
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
The MXenes are a class of 2D materials composed of transition-metal sheets alternating with carbide/nitride sheets, stacked just a few atoms thick. MXenes discovered thus far also have a surface termination layer that is likely a mixture of hydroxides and fluorides. While reasonable structural models based on X-ray diffraction and transmission electron microscopy data exist, the exact nature and distribution of the surface termination species are not well understood. Here, H-1, F-19, and C-13 solid-state NMR spectroscopies are used to investigate the model MXene V2CTx, where T signifies the surface termination groups. H-1 NMR experiments provide direct proof of hydroxide moieties in the surface layer by measuring interactions with the MXene surface. Furthermore, H-1 NMR spectroscopy shows a significant amount of water hydrogen bonded to the surface hydroxide layer. F-19 NMR experiments show fluoride moieties bonded to the MXene surface, with extremely unusual F-19 spectra caused by strong interactions with the metallic/semiconducting MXene. C-13 NMR observes the sample from the center of the MXene layer and shows that the C-13 chemical shift is extremely sensitive to the MAX -> MXene transformation. Nuclear-spin magnetization transferred from H-1 nuclei in the hydroxide surface termination layer to C-13 nuclei in the center of the MXene sheet yields further evidence of this connectivity. The multinuclear NMR experiments provide direct experimental verification of the structural models and depict the MXene V2CTx as infinite sheets of small-bandgap V2C sheets terminated by a mixed hydroxide/fluoride layer embedded in a matrix of strongly hydrogen-bonded water molecules.
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Details
- Title
- Direct Measurement of Surface Termination Groups and Their Connectivity in the 2D MXene V2CTx Using NMR Spectroscopy
- Creators
- Kristopher J. Harris - McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, CanadaMatthieu Bugnet - McMaster Univ, Dept Mat Sci & Engn, Hamilton, ON L8S 4M1, CanadaMichael Naguib - Drexel UniversityMichel W. Barsoum - Drexel UniversityGillian R. Goward - McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
- Publication Details
- Journal of physical chemistry. C, v 119(24), pp 13713-13720
- Publisher
- American Chemical Society; Washington, DC
- Number of pages
- 8
- Grant note
- Automotive Partnerships of Canada program NSERC DG program
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering
- Web of Science ID
- WOS:000356754900039
- Scopus ID
- 2-s2.0-84934988380
- Other Identifier
- 991019167971404721
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- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Chemistry, Physical
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology