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Chelation Drives Surface Substitution in Hybrid-MXenes
Vikash Khokhar1, Young-Hwan Kim2, Abu Rashed Md Shawon3,4
1Interdisciplinary Materials Science, Vanderbilt University, Nashville, Tennessee, USA.
Angewandte Chemie (International Ed. in English)
|July 20, 2026
Summary
Researchers synthesized hybrid MXenes using ethylenediamine, demonstrating tunable surface chemistry. They achieved bidentate ligand binding, a novel approach for engineering MXene properties.
Area of Science:
- Materials Science
- Surface Chemistry
- Nanotechnology
Background:
- Hybrid organic-inorganic MXenes (h-MXenes) enable surface chemistry modification of 2D transition-metal carbides and nitrides.
- Previous functionalization focused on monodentate ligands, leaving chelating ligand binding unexplored.
Purpose of the Study:
- To synthesize and characterize novel hybrid MXenes with chelating ethylenediamine (en) ligands.
- To investigate the transition from monodentate to bidentate coordination on Ti3C2 surfaces.
- To establish ligand denticity as a parameter for MXene surface engineering.
Main Methods:
- Synthesis of Ti3C2(en)x h-MXenes via substitution of Br terminations with deprotonated ethylenediamine.
- Characterization using X-ray photoelectron spectroscopy (XPS) and solid-state Nuclear Magnetic Resonance (NMR).
- Vibrational spectroscopy (inelastic neutron scattering) and computational methods (Density Functional Theory, ab initio molecular dynamics).
Main Results:
- Successful synthesis of Ti3C2(en)x h-MXenes with tunable surface coordination from monodentate to bidentate.
- Evidence of bidentate binding through interlayer spacing contraction and spectroscopic signal changes.
- Computational studies confirmed the stability and dynamic behavior of bidentate ethylenediamine coordination.
Conclusions:
- Ligand denticity is a new, effective design parameter for tailoring MXene surface chemistry.
- Bidentate ethylenediamine binding offers enhanced stability and novel surface properties for MXenes.
- This work opens new avenues for designing advanced MXene-based materials.
Keywords:
amine ligandschelationdensity functional theorydenticitydeprotonationinelastic neutron scatteringmxenessurface modificationMore Related Videos
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