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Improved sensing characteristics of methane over ZnO nano sheets upon implanting defects and foreign atoms substitution
Univ Queensland, Australian Inst Bioengn & Nanotechnol, Ctr Theoret & Computat Mol Sci, Brisbane, Qld 4072, Australia..
Khon Kaen Univ, Dept Phys, Integrated Nanotechnol Res Ctr, Khon Kaen, Thailand..
Univ Vet & Anim Sci, Dept Pharmacol & Toxicol, Lahore 55000, Pakistan..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.ORCID iD: 0000-0002-6765-2084
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2017 (English)In: Nanotechnology, ISSN 0957-4484, E-ISSN 1361-6528, Vol. 28, no 41, article id 415502Article in journal (Refereed) Published
Abstract [en]

Thanks to the growing interests of metal oxide sensors in environmental and industrial uses, this study presents the sensing mechanism of methane gas (CH4) on recently synthesized two-dimensional form of ZnO, ZnO nano sheets (ZnO-NS). The adsorption energy of CH4 on pristine ZnO-NS, calculated by means of van derWaals corrected first-principles calculations, is found to be insufficient restricting its application as an efficient nano sensor. However, the creation of (O/Zn) vacancies and the substitution of foreign dopants into ZnO-NS considerably intensify the binding energy of CH4. Through a comprehensive energetic analysis, it is observed that among all the substituents, boron (B), sulphur (S) and gallium (Ga) improves the binding of CH4 to 2.75, 6.1 and 7.5 times respectively than its values on pristine ZnO-NS. In addition to the CH4 binding energies falling ideally between physisorption and chemisorption range, a prominent variation in the electronic properties before and after CH4 exposure indicates the promise of substituted Zn-NS as a useful nano sensors.

Place, publisher, year, edition, pages
2017. Vol. 28, no 41, article id 415502
Keywords [en]
sensing, adsorption, density of states, nano sheets
National Category
Nano Technology
Identifiers
URN: urn:nbn:se:uu:diva-336292DOI: 10.1088/1361-6528/aa8395ISI: 000410968200002PubMedID: 28767044OAI: oai:DiVA.org:uu-336292DiVA, id: diva2:1176898
Available from: 2018-01-23 Created: 2018-01-23 Last updated: 2018-01-23Bibliographically approved

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Chakraborty, SudipAhuja, Rajeev

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