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Atomic-scale investigations of Ti3C2Tx MXene surfaces
Journal article   Peer reviewed

Atomic-scale investigations of Ti3C2Tx MXene surfaces

Katherine E. White, Yi Zhi Chu, Gilad Gani, Stefano Ippolito, Kristopher K. Barr, John C. Thomas, Alexander Weber-Bargioni, Kah Chun Lau, Yury Gogotsi and Paul S. Weiss
Matter, v 7(7), pp 2609-2618
03 Jul 2024
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https://escholarship.org/content/qt0x0024vv/qt0x0024vv.pdfView
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Abstract

2D materials density functional theory DFT MXene scanning tunneling microscopy scanning tunneling spectroscopy surface investigation
The family of two-dimensional (2D) carbides and/or nitrides, also known as MXenes, has generated great excitement within the scientific community and has been proposed for a wide variety of applications since its discovery. Despite this attention, there have been only limited studies of the atomically resolved local electronic and physical structure of MXene surfaces strongly affecting the physicochemical properties of these materials. Here, we report local structural, spectroscopic, and chemical investigations of the surfaces of Ti3C2Tx flakes using scanning tunneling microscopy and spectroscopy, closely coupled to theoretical studies. Terminal groups are visualized and characterized, along with surface TiO2 clusters formed upon exposure to air. Fundamental insight into the local electronic and chemical properties associated with different terminal groups on MXenes and their oxidation products is presented. [Display omitted] •Scanning tunneling microscopy and spectroscopy unveil MXene surfaces•The local electronic and physical structures of MXenes are calculated and measured•Chemical composition of MXene surfaces strongly affects their properties•Terminal functional groups and oxide clusters on MXenes are visualized and characterized In this initial demonstration, combinations of atomic-scale measurements and theory enabled identification of the surface terminations and their effects on the electronic properties of MXene surfaces. Scanning tunneling microscopy and spectroscopy were combined with detailed calculations to identify and to determine the impact of functional groups and oxide clusters on the MXene surface properties. This strategy will be expanded in further studies that will lead to detailed understanding of the atomic-scale origins of the chemical, physical, and material properties of MXenes. In this way, we anticipate being able to design and to tailor the synthesis and properties of MXenes to achieve and to optimize desired properties. The local electronic and physical structures of Ti3C2Tx MXene surfaces are measured via scanning tunneling microscopy and spectroscopy, closely coupled to detailed theoretical calculations of these properties. The chemical composition of the surface terminations strongly affects the MXene physicochemical properties. In this work, terminal functional groups and oxide surface clusters of MXenes are visualized and characterized.

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Collaboration types
Domestic collaboration
Web of Science research areas
Materials Science, Multidisciplinary
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