Ferroelectric WO<sub>3</sub> Nanoparticles for Acetone Selective Detection

Wang, L.; Teleki, Alexandra; Pratsinis, Sotiris E.; Gouma, Pelagia‐Irene

doi:10.1021/cm800761e

Cited by 342 publications

(237 citation statements)

References 28 publications

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“…21,22 They have been applied to human breath analysis to estimate the blood alcohol content of drunk drivers 23 and more recently for the detection and monitoring of breath markers for several diseases such as lung cancer 24 or diabetes. 25 Tin oxide (SnO 2 ) is the most widely used metal oxide for chemoresistive gas sensors. 26 Its sensitivity and selectivity depend also on the exposed facets of the rutile crystal structure.…”

Section: Introductionmentioning

confidence: 99%

First Principles Analysis of H₂O Adsorption on the (110) Surfaces of SnO₂, TiO₂ and Their Solid Solutions

et al. 2011

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Both associative and dissociative H2O adsorption on SnO2(110), TiO2(110), and Ti-enriched Sn1-xTixO2(110) surfaces have been investigated at low (1/12 monolayer (ML)) and high coverage (1 ML) by density functional theory calculations using the Gaussian and plane waves formalism. The use of a large supercell allowed the simulation at low symmetry levels. On SnO2(110), dissociative adsorption was favored at all coverages and was accompanied by stable associative H2O configurations. Increasing the coverage from 1/12 to 1 ML stabilized the (associatively or dissociatively) adsorbed H2O on SnO2(110) because of the formation of intermolecular H bonds. In contrast, on TiO2(110), the adsorption of isolated H2O groups (1/12 ML) was more stable than at high coverage, and the favored adsorption changed from dissociative to associative with increasing coverage. For dissociative H2O adsorption on Ti-enriched Sn1-xTixO2(110) surfaces with Ti atoms preferably located on 6-fold-coordinated surface sites, the analysis of the Wannier centers showed a polarization of electrons surrounding bridging O atoms that were bound simultaneously to 6-fold-coordinated Sn and Ti surface atoms. This polarization suggested the formation of an additional bond between the 6-fold-coordinated Ti-6c and bridging O atoms that had to be broken upon H2O adsorption. As a result, the H2O adsorption energy initially decreased, with increasing surface Ti content reaching a minimum at 25% Ti for 1/12 ML. This behavior was even more accentuated at high H2O coverage (1 ML) with the adsorption energy decreasing rapidly from 145.2 to 101.6 kJ/mol with the surface Ti content increasing from 0 to 33%. A global minimum of binding energies at both low and high coverage was found between 25 and 33% surface Ti content, which may explain the minimal cross-sensitivity to humidity previously reported for Sn1-xTixO2 gas sensors. Above 12.5% surface Ti content, the binding energy decreased with increasing coverage, suggesting that the partial desorption of H2O is facilitated at a high fractional coverage.

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Section: Introductionmentioning

confidence: 99%

First Principles Analysis of H₂O Adsorption on the (110) Surfaces of SnO₂, TiO₂ and Their Solid Solutions

et al. 2011

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“…WO 3 as a material has been widely studied as it offers a large range of possibilities in practical applications, e.g., in gas sensing (Kohl et al, 2000;Wang et al, 2008;Balazsi et al, 2008), and photocatalytic water splitting (Pihosh et al, 2015). There are several methods to produce WO 3 layers ranging from thick film and thin films technologies to chemical methods (Zheng et al, 2011).…”

mentioning

confidence: 99%

Selective detection of naphthalene with nanostructured WO<sub>3</sub> gas sensors prepared by pulsed laser deposition

Leidinger

Huotari

Sauerwald

et al. 2016

J. Sens. Sens. Syst.

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Abstract. Pulsed laser deposition (PLD) at room temperature with a nanosecond laser was used to prepare WO 3 layers on both MEMS microheater platforms and Si/SiO 2 substrates. Structural characterization showed that the layers are formed of nanoparticles and nanoparticle agglomerates. Two types of layers were prepared, one at an oxygen partial pressure of 0.08 mbar and one at 0.2 mbar. The layer structure and the related gas sensing properties were shown to be highly dependent on this deposition parameter. At an oxygen pressure of 0.2 mbar, formation of ε-phase WO 3 was found, which is possibly contributing to the observed increase in sensitivity of the sensor material.The gas sensing performance of the two sensor layers prepared via PLD was tested for detection of volatile organic compounds (benzene, formaldehyde and naphthalene) at ppb level concentrations, with various ethanol backgrounds (0.5 and 2 ppm) and gas humidities (30, 50 and 70 % RH). The gas sensors were operated in temperature cycled operation. For signal processing, linear discriminant analysis was performed using features extracted from the conductance signals during temperature variations as input data.Both WO 3 sensor layers showed high sensitivity and selectivity to naphthalene compared to the other target gases. Of the two layers, the one prepared at higher oxygen partial pressure showed higher sensitivity and stability resulting in better discrimination of the gases and of different naphthalene concentrations. Naphthalene at concentrations down to 1 ppb could be detected with high reliability, even in an ethanol background of up to 2 ppm. The sensors show only low response to ethanol, which can be compensated reliably during the signal processing. Quantification of ppb level naphthalene concentrations was also possible with a high success rate of more than 99 % as shown by leave-one-out cross validation.

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“…A measurement that can be used to determine a VOC's origination, either external or metabolic (21 and WO 3 of which the latter in crystalline form has been intensively studied as a detector for acetone, a known biomarker of diabetes (24). Current sensors adapt the γ-phase due to it s stability at room temperature and has been used to detect NO x , NH 3 , H 2 S and O 3 (25).…”

Section: Importance Of Background Correctionmentioning

confidence: 99%

Breath Analysis for Medical Diagnosis

Hill

Binions

2012

International Journal on Smart Sensing and Intelligent Systems

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The purpose of this review is to highlight the advances in technology and understanding in the field of breath analysis for medical diagnosis. A critical review of the methods of breath collection, treatment, and analysis is given, highlighting the problems facing the field and areas where promising advancement has been made. One particular area of interest is centered around electronic noses, ideally, portable devices which aim to mimic biological olifactory systems in analysing gases to produce odor fingerprints. Furthermore, recent work has shown it is possible to modify the basic sensor materials to both improve their performance, increase their tolerance to factors such as water vapour interferance which often leave the sensor system de-sensitized to the gaseous biomarkers, and enhance their selectivity. It will be shown how it is possible to accurately quantify concentrations of VOC's INTERNATIONAL JOURNAL ON SMART SENSING AND INTELLIGENT SYSTEMS, VOL. 5, NO. 2, JUNE 2012 401 and make disease diagnosis from analysis of the collected data which compare favorably with traditional medical diagnostic techniques.

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Ferroelectric WO₃ Nanoparticles for Acetone Selective Detection

Cited by 342 publications

References 28 publications

First Principles Analysis of H₂O Adsorption on the (110) Surfaces of SnO₂, TiO₂ and Their Solid Solutions

First Principles Analysis of H₂O Adsorption on the (110) Surfaces of SnO₂, TiO₂ and Their Solid Solutions

Selective detection of naphthalene with nanostructured WO<sub>3</sub> gas sensors prepared by pulsed laser deposition

Breath Analysis for Medical Diagnosis

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Ferroelectric WO3 Nanoparticles for Acetone Selective Detection

Cited by 342 publications

References 28 publications

First Principles Analysis of H2O Adsorption on the (110) Surfaces of SnO2, TiO2 and Their Solid Solutions

First Principles Analysis of H2O Adsorption on the (110) Surfaces of SnO2, TiO2 and Their Solid Solutions

Selective detection of naphthalene with nanostructured WO&lt;sub&gt;3&lt;/sub&gt; gas sensors prepared by pulsed laser deposition

Breath Analysis for Medical Diagnosis

Contact Info

Product

Resources

About

Ferroelectric WO₃ Nanoparticles for Acetone Selective Detection

First Principles Analysis of H₂O Adsorption on the (110) Surfaces of SnO₂, TiO₂ and Their Solid Solutions

First Principles Analysis of H₂O Adsorption on the (110) Surfaces of SnO₂, TiO₂ and Their Solid Solutions

Selective detection of naphthalene with nanostructured WO<sub>3</sub> gas sensors prepared by pulsed laser deposition