Journal article
Combining X‐Ray Photoelectron and Absorption Spectroscopies for Determining Surface Chemistry and Composition of Ti3C2Tx MXene
Advanced materials interfaces, v 12(13), 2500391
16 Jun 2025
Abstract
Surface chemistry and core composition of 2D MXenes play a major role in their interfacial properties, but the determination and quantification of their bonding environments remain challenging. X‐ray Photoelectron Spectroscopy (XPS) is a method of choice that is broadly utilized but is often hindered by large uncertainties and systematic bias due to adsorbed species such as adventitious carbon or etching residues. In this work, energy‐dependent XPS and depth profile modeling of the Ti3C2Tx MXene surface are employed to differentiate the contributions from the MXene and the adsorbed species, thereby increasing the accuracy of quantification. In comparison, uncorrected lab‐based XPS suffers from a systematic overestimation of Ti vacancies by 7% and an underestimation of terminal atoms, particularly F, by as much as 15%. Interestingly, it is found that a simple inelastic mean free path correction is sufficient to address the issue and reveals extremely low defects in Ti3C2Tx MXene synthesized using the HF/HCl etching route. Soft X‐ray Absorption Spectroscopy (XAS), supported by Density Functional Theory (DFT) calculations, also demonstrates a high chemical sensitivity of the surface terminations. This work provides novel insights into XPS quantification and the use of XAS for probing the carbide core and surface chemistry of Ti3C2Tx MXenes.
The surface chemistry and core composition of Ti3C2Tx MXenes is often derived from X‐ray Photoelectron Spectroscopy (XPS) but its determination and quantification remain difficult due to adsorbed species such as adventitious carbon. This challenge is overcome by using energy‐dependent XPS and depth profile modeling of the Ti3C2Tx MXene surface, completed with characterization by soft X‐ray Absorption Spectroscopy.
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Details
- Title
- Combining X‐Ray Photoelectron and Absorption Spectroscopies for Determining Surface Chemistry and Composition of Ti3C2Tx MXene
- Creators
- Zoé Dessoliers - Helmholtz-Zentrum Berlin für Materialien und EnergieArsène Chemin - Helmholtz-Zentrum Berlin für Materialien und EnergieGeetha Valurouthu - Drexel UniversityRobert Lord - Drexel University, A.J. Drexel Nanomaterials InstituteThomas Bilyk - École Nationale Supérieure de Mécanique et d'AérotechniqueYury Gogotsi - Drexel University, Materials Science and EngineeringVincent Mauchamp - Université de PoitiersTristan Petit - Helmholtz-Zentrum Berlin für Materialien und Energie
- Publication Details
- Advanced materials interfaces, v 12(13), 2500391
- Publisher
- Wiley
- Number of pages
- 12
- Grant note
- National Science Foundation (CHE‐2318105) HORIZON EUROPE European Research Council (947852) “Investissements d'Avenir” (ANR‐18‐EURE‐0010) “Région Nouvelle Aquitaine”
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering; A.J. Drexel Nanomaterials Institute
- Web of Science ID
- WOS:001508583600001
- Scopus ID
- 2-s2.0-105008404666
- Other Identifier
- 991022060154304721
InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Chemistry, Multidisciplinary
- Materials Science, Multidisciplinary