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Hydrolysis of acid halides is a nucleophilic acyl substitution reaction in which acid halides react with water to give carboxylic acids. The reaction occurs readily and does not require acid or a base catalyst.
As shown below, the mechanism involves a nucleophilic attack by water at the carbonyl carbon to form a tetrahedral intermediate. This is followed by the reformation of the carbon–oxygen π bond along with the departure of a halide ion. A final proton transfer step yields carboxylic...
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Removing Fluoride-Terminations from Multilayered V2CT MXene by Gas Hydrolyzation.

Frode Håskjold Fagerli1, Zhaohui Wang1,2, Tor Grande1

  • 1Department of Materials Science and Engineering, NTNU Norwegian University of Science and Technology, Sem Sælands vei 12, NO-7034 Trondheim, Norway.

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Summary
This summary is machine-generated.

Hydrolyzation effectively removes fluorine terminations from vanadium carbide MXene (V2CTz) using continuous gas flow. This method yields a nearly fluorine-free material with improved performance in lithium-ion batteries.

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Electrochemistry

Background:

  • Two-dimensional MXenes offer significant application potential, but controlling their surface termination groups is crucial for optimal performance.
  • Fluorine terminations on MXenes can limit their utility and require effective removal strategies.

Purpose of the Study:

  • To develop and demonstrate a continuous gas flow hydrolyzation method for removing fluorine terminations from multilayered V2CT MXene.
  • To investigate the resulting material's properties and performance in lithium-ion battery electrodes.

Main Methods:

  • Hydrolyzation of multilayered V2CT particles using a continuous gas flow at elevated temperatures.
  • Density functional theory (DFT) calculations to assess the thermodynamic feasibility of fluorine termination substitution.
  • Spectroscopic analysis to infer changes in elemental composition (F and O content).
  • Electrochemical testing of the modified MXene as Li-ion battery electrodes.

Main Results:

  • Hydrolyzation successfully reduced fluorine content, producing nearly fluorine-free and partly bare vanadium carbide MXene.
  • DFT calculations confirmed the thermodynamic feasibility of removing F-terminations, with partly nonterminated V2CO as the dominant product.
  • The optimal hydrolyzation temperature was found to be 300 °C; higher temperatures led to phase degradation.
  • Hydrolyzed MXene electrodes showed reduced polarization in Li-ion batteries compared to pristine MXene.
  • Water vapor was essential for effective F-reduction, unlike annealing in dry argon.

Conclusions:

  • Continuous gas flow hydrolyzation is a novel and efficient method for controlling surface terminations of multilayered V2CT MXene post-synthesis.
  • The study provides insights into the thermal stability of V2CT MXene in hydrated atmospheres.
  • The developed method enhances MXene suitability for applications like energy storage by improving electrode performance.