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Journal article
In Situ Raman and Fourier Transform Infrared Spectroscopy Studies of MXene-Electrolyte Interfaces
ACS nano, v 19(24), pp 22228-22239
09 Jun 2025
PMID: 40489252
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Abstract
A comprehensive understanding of electrochemical interfaces is essential for the optimal performance of electrocatalysts, supercapacitors, and batteries. However, understanding the electrochemical behavior of MXenes during electrochemical processes by any single technique does not provide a whole picture. We achieved real-time monitoring in the complete near-mid-infrared chemical range by utilizing Raman spectroscopy (near-infrared (NIR) excitation) and Fourier transform infrared (FTIR) spectroscopy in the mid-infrared (MIR) range. The change of intramolecular O−H vibrations of MXene-confined water was monitored in real time using FTIR, while surface terminations were monitored by using Raman spectroscopy. The dynamic interplay between charge storage and the change in MXene surface chemistry was studied by employing representative electrolytes (0.5 M H2SO4, 1 M LiCl, and 6 M KOH) and comparing hydrophilic Ti3C2Tx with mixed-terminations (T = O/OH/F) with hydrophobic chlorine-terminated Ti3C2Cl2 MXene electrodes. Ab initio molecular dynamics (MD) simulations and density functional theory (DFT) calculations were used to shed light on ion insertion with a dynamic change of ion solvation and reveal the structure of the MXene-confined water.
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Details
- Title
- In Situ Raman and Fourier Transform Infrared Spectroscopy Studies of MXene-Electrolyte Interfaces
- Creators
- Tetiana Parker - Drexel UniversityYuan Zhang - Drexel UniversityKateryna Shevchuk - Drexel UniversityTeng Zhang - Drexel UniversityVikash Khokhar - Vanderbilt UniversityYoung-Hwan Kim - University of ChicagoGivi Kadagishvili - University of PennsylvaniaDavid Bugallo - Universidade de Santiago de CompostelaManushree Tanwar - University of PennsylvaniaBen Davis - Drexel UniversityJongyoun Kim - Drexel UniversityZahra Fakhraai - University of PennsylvaniaYong-Jie Hu - Drexel UniversityDe-En Jiang - Vanderbilt UniversityDmitri V Talapin - University of ChicagoYury Gogotsi (Corresponding Author) - Drexel University
- Publication Details
- ACS nano, v 19(24), pp 22228-22239
- Publisher
- ACS Publications
- Number of pages
- 12
- Grant note
- National Science Foundation: 2138259, 2138286, 2138307, 2137603, 2138296 U.S. National Science FoundationAlexander von Humboldt Foundation
This work was supported by the U.S. National Science Foundation under grant CHE-2318105 (M-STAR CCI). 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 U.S. National Science Foundation Grants #2138259, #2138286, #2138307, #2137603, and #2138296. Y.Z. acknowledges financial support from the Alexander von Humboldt Foundation.
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering; A.J. Drexel Nanomaterials Institute
- Web of Science ID
- WOS:001505186200001
- Scopus ID
- 2-s2.0-105008297844
- Other Identifier
- 991022055840304721
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- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Chemistry, Multidisciplinary
- Chemistry, Physical
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology