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Sensitivity enhancement of stanene towards toxic SO2 and H2S
King Abdullah Univ Sci & Technol, Phys Sci & Engn Div PSE, Thuwal 239556900, Saudi Arabia..
Univ Western Australia, Sch Mol Sci, Perth, WA 6009, Australia..
King Abdullah Univ Sci & Technol, Phys Sci & Engn Div PSE, Thuwal 239556900, Saudi Arabia..
Konkuk Univ, Dept Phys, Seoul 05029, South Korea..
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2019 (English)In: Applied Surface Science, ISSN 0169-4332, E-ISSN 1873-5584, Vol. 495, article id UNSP 143622Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
ELSEVIER , 2019. Vol. 495, article id UNSP 143622
Keywords [en]
Nanosheet, Adsorption, Doping, Work function
National Category
Materials Engineering
Research subject
Materials Science and Engineering
Identifiers
URN: urn:nbn:se:kth:diva-261288DOI: 10.1016/j.apsusc.2019.143622ISI: 000486177700080Scopus ID: 2-s2.0-85071611166OAI: oai:DiVA.org:kth-261288DiVA, id: diva2:1359419
Note

QC 20191009

Available from: 2019-10-09 Created: 2019-10-09 Last updated: 2020-01-29Bibliographically approved

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Ahuja, Rajeev

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