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Ultrahigh-sensitive gas sensors based on doped phosphorene: A first-principles investigation
Nakhon Phanom Univ, Fac Sci, Div Phys, Nakhon Phanom 48000, Thailand.;Commiss Higher Educ, Thailand Ctr Excellence Phys, 328 Si Ayutthaya Rd, Bangkok 10400, Thailand..
Uppsala Univ, Dept Phys & Astron, Mat Theory Div, Condensed Matter Theory Grp, Box 516, SE-75120 Uppsala, Sweden..
Uppsala Univ, Dept Phys & Astron, Mat Theory Div, Condensed Matter Theory Grp, Box 516, SE-75120 Uppsala, Sweden..
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics. Uppsala Univ, Dept Phys & Astron, Mat Theory Div, Condensed Matter Theory Grp, Box 516, SE-75120 Uppsala, Sweden..ORCID iD: 0000-0003-1231-9994
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2019 (English)In: Applied Surface Science, ISSN 0169-4332, E-ISSN 1873-5584, Vol. 497, article id UNSP 143660Article in journal (Refereed) Published
Abstract [en]

Recent significant advancements have been made in demonstrating the usage of phosphorene to detect the presence of gases leading to a new breed of gas sensor device. Based on pristine phosphorene, the devices can detect a small concentration of adsorbed molecules with high sensitivity at room temperature. In this work, we propose doping silicon and sulfur impurity atoms into phosphorene to drastically improve its gas sensing performance. We use a combination of density functional theory and non-equilibrium Green's function method to evaluate the sensitivity and selectivity of doped phosphorene nanosensors for four gases (NO, NO2, NH3, and CO). Both devices demonstrate a prominent distinction in conductance when the gas molecules are exposed to the sensor surface. We suggest the doped phosphorene may present advantages over the device based purely on phosphorene due to the ability to discriminate different gases controlled by types of dopants.

Place, publisher, year, edition, pages
ELSEVIER , 2019. Vol. 497, article id UNSP 143660
Keywords [en]
Nanosensor, Phosphorene, Electron transport
National Category
Chemical Sciences
Research subject
Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-262753DOI: 10.1016/j.apsusc.2019.143660ISI: 000487849800050Scopus ID: 2-s2.0-85071686205OAI: oai:DiVA.org:kth-262753DiVA, id: diva2:1365016
Note

QC 20191023

Available from: 2019-10-23 Created: 2019-10-23 Last updated: 2020-01-29Bibliographically approved

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Ahuja, Rajeev

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