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Journal article
Fourier-Transform Infrared Spectral Library of MXenes
Chemistry of materials, v 36(17), pp 8437-8446
21 Aug 2024
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Abstract
Fourier-transform infrared (FTIR) spectroscopy characterization is a powerful and easy-to-use technique frequently employed for the characterization and fingerprinting of materials. Although MXenes are a large and fastest growing family of inorganic 2D materials, the lack of systematic FTIR spectroscopy studies hinders its application to MXenes and often leads to misinterpretation of the results. In this study, we report experimental and calculated FTIR spectra of 12 most typical carbide and carbonitride MXenes with different compositions (5 transition metals) and all four basic structures, including Ti2CTx, Nb2CTx, Mo2CTx, V2CTx, Ti3C2Tx, Ti3CNTx, Mo2TiC2Tx, Mo2Ti2C3Tx, Nb4C3Tx, V4C3Tx, Ta4C3Tx, and Mo4VC4Tx. The measurements were performed on delaminated MXene flakes incorporated in KBr pellets in the 4000–400 cm–1 range. We provide detailed instructions for sample preparation, data collection, and interpretation of FTIR spectra of MXenes. Background correction and spectra smoothing are applied to obtain clear FTIR peaks corresponding to bond vibrations in MXenes. Density functional theory calculations were used for the precise assignment of all characteristic FTIR peaks and an in-depth analysis of the vibration modes. This work aims to provide the 2D material community with the FTIR spectroscopy technique as a reliable method for identifying and analyzing MXenes.
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Details
- Title
- Fourier-Transform Infrared Spectral Library of MXenes
- Creators
- Yury Gogotsi (Corresponding Author) - Drexel University, Materials Science and EngineeringTetiana Parker - Drexel UniversityDanzhen Zhang - Drexel University, A.J. Drexel Nanomaterials InstituteDavid Bugallo Ferron - Drexel University, Materials Science and EngineeringKateryna Shevchuk - Drexel UniversityMarley Downes - Drexel UniversityGeetha Valurouthu - Drexel UniversityCorey Alexander Inman - Drexel University, A.J. Drexel Nanomaterials InstituteBenjamin Chacon - Drexel UniversityTeng Zhang - Drexel UniversityChristopher E Shuck - Drexel University, Materials Science and EngineeringYong-Jie Hu - Drexel University, Materials Science and Engineering
- Publication Details
- Chemistry of materials, v 36(17), pp 8437-8446
- Publisher
- ACS Publications
- Number of pages
- 10
- Grant note
- National Science Foundation: 2138259, 2138286, 2138307, 2137603, 2138296 U.S. National Science Foundation: CHE-2318105
We acknowledge Meikang Han, Adam Parker, Manav Saxena, Robert Zalesny, Robert Lord, Timofey Averianov, and Kevin Kim for their helpful discussions. XRD analysis was performed at the Materials Characterization Core at Drexel University. DFT calculations were performed partially using the Picotte cluster at the Drexel University Research Computing Facility and partially using the Stampede2 cluster at TACC through allocation MAT220033 from the Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support (ACCESS) program, which is supported by National Science Foundation Grants #2138259, #2138286, #2138307, #2137603, and #2138296. This work was supported by the U.S. National Science Foundation under Grant CHE-2318105 (M-STAR CCI).
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering; A.J. Drexel Nanomaterials Institute
- Web of Science ID
- WOS:001296536400001
- Scopus ID
- 2-s2.0-85201877523
- Other Identifier
- 991021897111604721
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- Domestic collaboration
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- Web of Science research areas
- Chemistry, Physical
- Materials Science, Multidisciplinary