Mechanistic insight and first principle analysis of cation-inverted zinc ferrite nanostructure: A paradigm for ppb-level room temperature NOx sensor

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F24%3A10481802" target="_blank" >RIV/00216208:11320/24:10481802 - isvavai.cz</a>

Result on the web

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=W_uq6Qcy10" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=W_uq6Qcy10</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.cej.2024.151873" target="_blank" >10.1016/j.cej.2024.151873</a>

Result language

angličtina

Original language name

Mechanistic insight and first principle analysis of cation-inverted zinc ferrite nanostructure: A paradigm for ppb-level room temperature NOx sensor

Original language description

Herein, we adopted a new paradigm for developing a high-performance gas sensor by leveraging the mixed spinel ZnFe2O4 structure (mZFO) to enhance the adsorption of NOx molecules. Material characterization reveals the formation of the mZFO due to the cation inversion in lattice sites. The estimated value of the inversion degree is observed to shift from 0.78 to 0.39 with an increase in the calcination temperature. The mZFO nanoparticles calcined at 500 degrees C show exceptional sensing performance due to their suitable grain size (-2 times Debye length), neck diameter, and surface area. The sensing studies conducted at various NOx concentrations indicate that the sensor can detect ppb level of NOx with a detection limit of about 9 ppb at room temperature. The detailed sensing mechanism is elucidated based on the density functional theory calculations (DFT) and Bader charge analysis. The outstanding sensor performance is attributed to the formation of a mixed spinel structure, wherein the adsorption energy of NOx (--0.6 eV) in the presence of surface adsorbed oxygen is higher than that of the normal spinel structure (--0.1 eV). Furthermore, the sensor exhibited a fast response and recovery times (7 and 92 s at 800 ppb NO2), excellent stability, and selectivity. The practical suitability of the mZFO sensor was studied by analyzing the vehicle exhaust emissions. We strongly believe this work would pave a novel approach to developing a high-potential gas sensor by modifying the cation distributions in the spinel ferrites.

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

10305 - Fluids and plasma physics (including surface physics)

Project

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2024

Confidentiality

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

Name of the periodical

Chemical Engineering Journal

ISSN

1385-8947

e-ISSN

1873-3212

Volume of the periodical

490

Issue of the periodical within the volume

červen

Country of publishing house

CH - SWITZERLAND

Number of pages

13

Pages from-to

151873

UT code for WoS article

001239929700001

EID of the result in the Scopus database

2-s2.0-85192243314