CrI3-WTe2: A Novel Two-Dimensional Heterostructure as Multisensor for BrF3 and COCL2 Toxic Gases

Amreen Bano; Jyoti Krishna; Tulika Maitra; N. K. Gaur

doi:10.1038/s41598-019-47685-5

CrI₃-WTe₂: A Novel Two-Dimensional Heterostructure as Multisensor for BrF₃ and COCL₂ Toxic Gases

Amreen Bano, Jyoti Krishna, Tulika Maitra, N. K. Gaur

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

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.

Original language	English
Article number	11194
Pages (from-to)	11194
Number of pages	1
Journal	Scientific Reports
Volume	9
Issue number	1
DOIs	https://doi.org/10.1038/s41598-019-47685-5
State	Published - 1 Aug 2019
Externally published	Yes

Access to Document

10.1038/s41598-019-47685-5

Cite this

@article{a2ef16a61da94c28a9eb093bed61df3e,

title = "CrI3-WTe2: A Novel Two-Dimensional Heterostructure as Multisensor for BrF3 and COCL2 Toxic Gases",

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.",

author = "Amreen Bano and Jyoti Krishna and Tulika Maitra and Gaur, {N. K.}",

year = "2019",

month = aug,

day = "1",

doi = "10.1038/s41598-019-47685-5",

language = "אנגלית",

volume = "9",

pages = "11194",

journal = "Scientific Reports",

issn = "2045-2322",

publisher = "Nature Publishing Group",

number = "1",

}

TY - JOUR

T1 - CrI3-WTe2

T2 - A Novel Two-Dimensional Heterostructure as Multisensor for BrF3 and COCL2 Toxic Gases

AU - Bano, Amreen

AU - Krishna, Jyoti

AU - Maitra, Tulika

AU - Gaur, N. K.

PY - 2019/8/1

Y1 - 2019/8/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85070968897&partnerID=8YFLogxK

U2 - 10.1038/s41598-019-47685-5

DO - 10.1038/s41598-019-47685-5

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

C2 - 31371785

AN - SCOPUS:85070968897

SN - 2045-2322

VL - 9

SP - 11194

JO - Scientific Reports

JF - Scientific Reports

IS - 1

M1 - 11194

ER -

CrI₃-WTe₂: A Novel Two-Dimensional Heterostructure as Multisensor for BrF₃ and COCL₂ Toxic Gases

Abstract

Access to Document

Other files and links

Fingerprint

Cite this