Sensitivity enhancement of stanene towards toxic SO2 and H2S

Hakkim Vovusha, Tanveer Hussain, Muhammad Sajjad, Hoonkyung Lee, Amir Karton, Rajeev Ahuja, Udo Schwingenschlögl

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Adsorption of S-containing gases on pristine, defective, and heteroatom doped stanene is studied for gas sensing applications by van der Waals corrected density functional theory. SO2 and H2S gas molecules are found to bind to pristine stanene too weakly to alter the electronic properties sufficiently for efficient gas sensing (binding energy of −0.20 and −0.33 eV, respectively). We demonstrate that vacancies and heteroatom doping can enhance the binding energy to −1.67 and −0.74 eV, respectively. It is found that presence of mono-vacancies, tri-vacancies, and In dopants at low concentrations in stanene results in considerable variations of the electronic properties in contact with S-containing gases, thus transforming stanene into an efficient sensing material.

Original languageEnglish
Article number143622
JournalApplied Surface Science
Volume495
DOIs
Publication statusPublished - 30 Nov 2019

Fingerprint

Poisons
Gases
augmentation
sensitivity
Vacancies
gases
Binding energy
Electronic properties
binding energy
Doping (additives)
electronics
Contacts (fluid mechanics)
Density functional theory
low concentrations
density functional theory
Adsorption
Molecules
adsorption
molecules

Cite this

Vovusha, Hakkim ; Hussain, Tanveer ; Sajjad, Muhammad ; Lee, Hoonkyung ; Karton, Amir ; Ahuja, Rajeev ; Schwingenschlögl, Udo. / Sensitivity enhancement of stanene towards toxic SO2 and H2S. In: Applied Surface Science. 2019 ; Vol. 495.
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Sensitivity enhancement of stanene towards toxic SO2 and H2S. / Vovusha, Hakkim; Hussain, Tanveer; Sajjad, Muhammad; Lee, Hoonkyung; Karton, Amir; Ahuja, Rajeev; Schwingenschlögl, Udo.

In: Applied Surface Science, Vol. 495, 143622, 30.11.2019.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Sensitivity enhancement of stanene towards toxic SO2 and H2S

AU - Vovusha, Hakkim

AU - Hussain, Tanveer

AU - Sajjad, Muhammad

AU - Lee, Hoonkyung

AU - Karton, Amir

AU - Ahuja, Rajeev

AU - Schwingenschlögl, Udo

PY - 2019/11/30

Y1 - 2019/11/30

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AB - Adsorption of S-containing gases on pristine, defective, and heteroatom doped stanene is studied for gas sensing applications by van der Waals corrected density functional theory. SO2 and H2S gas molecules are found to bind to pristine stanene too weakly to alter the electronic properties sufficiently for efficient gas sensing (binding energy of −0.20 and −0.33 eV, respectively). We demonstrate that vacancies and heteroatom doping can enhance the binding energy to −1.67 and −0.74 eV, respectively. It is found that presence of mono-vacancies, tri-vacancies, and In dopants at low concentrations in stanene results in considerable variations of the electronic properties in contact with S-containing gases, thus transforming stanene into an efficient sensing material.

KW - Adsorption

KW - Doping

KW - Nanosheet

KW - Work function

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JO - Applied Surface Science

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