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April 24, 2026Physical Chemistry Chemical Physics0 citations

The effect of Fe, Co and Ni doped Ti 2 CO 2 on sensitivity to toxic gases: A DFT study

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WMWenjin MiaoJLJinyi LiRZRuiying Zhang

Key Points

  • This research aims to explore how doping Ti2CO2 with Fe, Co, and Ni affects its sensitivity to toxic gases.
  • Conducted density functional theory (DFT) calculations on doped Ti2CO2 MXenes.
  • Analyzed the effects of doping elements on the adsorption properties.
  • Examined sensitivity variations to different toxic gases.
  • Doping with Fe, Co, and Ni significantly increases the sensitivity of Ti2CO2 to various toxic gases.
  • Different dopants exhibit varied effectiveness in enhancing gas adsorption.
  • The study identifies optimal doping strategies for improved sensor performance.

Abstract

MXenes are a new class of two-dimensional (2D) materials that have attracted significant attention in numerous sensor applications due to their excellent properties. To address the urgent need for the...

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Cite This Study

Miao et al. (2026) studied this question.

synapsesocial.com/papers/69eb09ff553a5433e34b4486https://doi.org/10.1039/d6cp00094k
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