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January 18, 2026Journal of Materials Chemistry A0 citations

Tailoring the Gas Sensing Properties of ZrS2 Monolayers through Ni and Pd Modifications: A DFT Study

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JIJahirul IslamMRMd Tawabur Rahman

Key Points

  • This research aims to enhance the gas sensing properties of ZrS2 monolayers by applying modifications with nickel and palladium.
  • Conducted density functional theory (DFT) simulations on ZrS2 monolayers
  • Applied modifications with nickel and palladium
  • Assessed changes in gas sensing properties under various conditions
  • Nickel and palladium modifications significantly improve sensitivity
  • ZrS2 monolayers show enhanced performance for specific gas detection
  • DFT simulations reveal optimal configurations for gas interaction

Abstract

The growing demand for high-performance gas sensors, driven by pressing environmental and industrial safety concerns, underscores the necessity for advanced materials beyond conventional sensors, which suffer from low sensitivity, poor...

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Cite This Study

Islam et al. (2026) studied this question.

synapsesocial.com/papers/696c772aeb60fb80d1395757https://doi.org/10.1039/d5ta07492d
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