Bismuth oxyiodide as a highly efficient room temperature NOx gas sensor: Role of surface orientations on sensing performance

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F24%3A00376588" target="_blank" >RIV/68407700:21230/24:00376588 - isvavai.cz</a>

Result on the web

<a href="https://doi.org/10.1016/j.mtphys.2024.101542" target="_blank" >https://doi.org/10.1016/j.mtphys.2024.101542</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.mtphys.2024.101542" target="_blank" >10.1016/j.mtphys.2024.101542</a>

Result language

angličtina

Original language name

Bismuth oxyiodide as a highly efficient room temperature NOx gas sensor: Role of surface orientations on sensing performance

Original language description

In the pursuit of developing fast and reliable gas sensors, a new ternary oxide semiconductor, a bismuth oxyiodide (BiOI)-based sensing material, has been reported with desirable adsorption energy, short recovery time, and high sensitivity and selectivity for detecting nitrogen oxide mixtures (NOx, typically NO and NO2). The structural, electronic, and transport properties of both (001) and (012) planes of BiOI surfaces upon the adsorption of six environmentally relevant gases (NO, NO2, SO2, SO3, O2, and H2O) are systematically explored using a combination of density functional theory (DFT) and non-equilibrium Green's function (NEGF) methods. The results indicate that BiOI (001) exhibits weak interaction with these gases, with the highest adsorption energy observed for NO. In contrast, the BiOI (012) surface shows enhanced adsorption stability for these gases, particularly acceptable strong adsorption to NO2, indicating its promising capability for detecting these gases with high specificity. Moreover, it demonstrates the most intense chemisorption for SO3, suggesting it to be a reliable SO3 adsorbent/cleaner. The obtained transport characteristics, including current-voltage (I-V) and resistance-voltage (R-V) curves, further highlight the higher selectivity of the BiOI (001) device towards NO and the BiOI (012) device towards NO2 against the other gases. Furthermore, the transmission spectra analyses reveal that the BiOI-based sensor can electrically discriminate the target gas molecules from other considered gas molecules. Besides, the practical application possibilities of both orientations are explored by estimating their recovery time, and the results show that the BiOI sensor has excellent recovery times at room temperature (NO/BiOI (001) = 0.158 ns, and NO2/BiOI (012) = 3.89 s), highlighting its potential as an ideal reversible gas-sensing material for detecting NOx gases.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project

<a href="/en/project/EH22_008%2F0004590" target="_blank" >EH22_008/0004590: Robotics and advanced industrial production</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2024

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Materials Today Physics

ISSN

2542-5293

e-ISSN

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Volume of the periodical

47

Issue of the periodical within the volume

September

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

11

Pages from-to

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UT code for WoS article

001316448400001

EID of the result in the Scopus database

2-s2.0-85202710307