Physical Sciences Division
Published June 9, 2025 | Version v1
Journal article Metadata-only

In Situ Raman and Fourier Transform Infrared Spectroscopy Studies of MXene−Electrolyte Interfaces

Creators

  • 1. Drexel University
  • 2. Vanderbilt University
  • 3. University of Chicago
  • 4. University of Pennsylvania

Description

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.

Additional details

Identifiers

DOI
10.1021/acsnano.5c03810
Other
oai:uchicago.tind.io:16216

Funding

Alexander von Humboldt-Stiftung
National Science Foundation
2137603
National Science Foundation
2138259
National Science Foundation
2138286
National Science Foundation
2138296
National Science Foundation
2138307
National Science Foundation
CHE-2318105

UChicago Information

Division(s)
Physical Sciences Division
Department(s)
Chemistry