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Updated: Jan 21, 2026

Residue-Free Fabrication of van der Waals Heterostructures of Two-Dimensional Materials
Published on: July 18, 2025
CrI3-WTe2: A Novel Two-Dimensional Heterostructure as Multisensor for BrF3 and COCL2 Toxic Gases
Amreen Bano1, Jyoti Krishna2, Tulika Maitra2
1Department of Physics, Barkatullah University, Bhopal, 462026, India. banoamreen.7@gmail.com.
Abstract:
A new multisensor (i.e. resistive and magnetic) CrI3-WTe2 heterostructure (HS) to detect the toxic gases BrF3 and COCl2 (Phosgene) has been theoretically studied in our present investigation. The HS has demonstrated sensitivity towards both the gases by varying its electronic and magnetic properties when gas molecule interacts with the HS. Fast recovery time (<0.14 fs) under UV radiation has been observed. We have considered two configurations of BrF3 adsorbed HS; (1) when F ion interacts with HS (C1) and (2) when Br ion interacts with HS (C2). In C1 case the adsorption energy Ead is observed to be -0.66 eV while in C2 it is -0.95 eV. On the other hand in case of COCl2 Ead is found to be -0.42 eV. Magnetic moments of atoms are also found to vary upon gas adsorption indicates the suitability of the HS as a magnetic gas sensor. Our observations suggest the suitability of CrI3-WTe2 HS to respond detection of the toxic gases like BrF3 and COCl2.
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