Tailoring the gas sensing properties of ZrS 2 monolayers through Ni and Pd modifications: a DFT study

Journal of Materials Chemistry A 2026

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Authors: Jahirul Islam, Md Tawabur Rahman
DOI: 10.1039/d5ta07492d
Cited by: 4
References: 61

Abstract

DFT reveals that Ni and Pd modifications enhance ZrS 2 sensing toward hazardous gases. Doped systems show high sensitivity, while decorated surfaces offer ultrafast recovery for environmental monitoring.

Fields of Study & Subjects

2D Materials and Applications Gas Sensing Nanomaterials and Sensors Advanced Thermoelectric Materials and Devices

Publication details

Journal / source
Journal of Materials Chemistry A
Publisher
Royal Society of Chemistry (RSC)
Volume
14
Issue
16
Pages
9586–9604
Publication date
1 January 2026
Language
EN