Gas sensing properties of palladium-modified zinc oxide nanofilms: A DFT study

Liangruksa, Monrudee; Sukpoonprom, Patipan; Junkaew, Anchalee; Photaram, Worachote; Siriwong, Chawarat

doi:10.1016/j.apsusc.2020.148868

Cited by 27 publications

(10 citation statements)

References 68 publications

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“…It is also seen that after the addition of the dopant, the porous nature of the substance increased, which enhances the sensing performance of the sensor. The density functional theory study of the same by various research studies shows that introduction of Pd in the layers of ZnO has enhanced the sensing mechanisms by decreasing the band gap of ZnO and favoring the surface absorption techniques, , the detailed analysis will be discoursed in the future work. The optothermal activation principle was used to excite Pd–ZnO by both temperature and optical activation techniques.…”

Section: Resultsmentioning

confidence: 98%

Design, Fabrication, and Packaging of an Optothermally Activated Nanocrystalline Pd–ZnO-Based Selective CO Sensor on a Screen-Printed In-Plane Heater

Anjitha

Ahirwar

et al. 2022

ACS Appl. Electron. Mater.

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Continuous monitoring of gases at low concentrations is necessary for keeping track of emanations from coal mines as gas emissions prove to be a detrimental factor for people working in such environments. Therefore, there is a requirement to develop a selective CO sensor which can go down to the ppm level for initiating the triggering of an alarm system. With this objective, a selective CO (up to 20 ppm) sensor has been investigated with the exploration of different material combinations (Pd−ZnO) and optothermal activation techniques. The selectivity of target gases such as CO, CH 4 , and NH 3 has been a controversial topic among researchers as the sensing mechanism is almost similar in all the three cases. The major challenge to be addressed while designing a micro-electromechanical system-based gas sensor is the problem of reliability, cross-sensitivity, and selectivity, which stagnates the overall performance of the system. The optothermally activated sensor platform with suitable nanomaterials play a significant role in curtailing the above-mentioned issues. The present work implements Pd-doped nanocrystalline ZnO with defect-oriented active sites which are found to be highly efficacious in providing a sensor with a strong adsorption reaction and propelling the surface conversion kinetics. The sensor is optimized for selective CO sensing due to the interplay between the defect states on Pd−ZnO with optical and thermal activation. As a direct consequence, a reliable, robust, cost-effective, and CO-selective packaged gas sensor at approximately 3.5 W is realized. Simulation, optimization of the sensing nanomaterial, fabrication of a screen-printed integrated heater and sensing electrodes, thermo-optical excitation, detailed packaging, and characterization are discussed in this study. Thus, the present methodology to fabricate the CO-selective sensor is suitable for various applications where a robust, reliable, selective sensing performance is required. Detailed material characterization has been performed to analyze the sensing behavior of the grown nanomaterials (Pd−ZnO).

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Section: Resultsmentioning

confidence: 98%

Design, Fabrication, and Packaging of an Optothermally Activated Nanocrystalline Pd–ZnO-Based Selective CO Sensor on a Screen-Printed In-Plane Heater

Anjitha

Ahirwar

et al. 2022

ACS Appl. Electron. Mater.

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“…The calculation results showed that, compared with bare ZnO, modified ZnO had a significant promotion effect on the reaction of H 2 and C 2 H 5 OH. The gas sensitivity of the sensor for H 2 and C 2 H 5 OH detection is mainly attributed to the surface modification and its resulting electron transfer mechanism, DOS, band gap and gas adsorption [ 55 ]. Hence, in our work, the first principles analysis of Au/ZnO structures based on DFT and linear combinations of atomic orbitals (LCAO) basis set was performed using the Atomistix Toolkit (ATK) to investigate the adsorption properties of the surface of the materials.…”

Section: Resultsmentioning

confidence: 99%

Ethanol Sensing Properties and First Principles Study of Au Supported on Mesoporous ZnO Derived from Metal Organic Framework ZIF-8

Kang

Zhang

Wang

et al. 2021

Sensors

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It is of great significance to develop ethanol sensors with high sensitivity and low detection temperature. Hence, we prepared Au-supported material on mesoporous ZnO composites derived from a metal-organic framework ZIF-8 for the detection of ethanol gas. The obtained Au/ZnO materials were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (SEM), field emission transmission electron microscopy (TEM) and nitrogen adsorption and desorption isotherms. The results showed that the Au/ZnO-1.0 sample maintains a three-dimensional (3D) dodecahedron structure with a larger specific surface area (22.79 m2 g−1) and has more oxygen vacancies. Because of the unique ZIF structure, abundant surface defects and the formation of Au-ZnO Schottky junctions, an Au/ZnO-1.0 sensor has a response factor of 37.74 for 100 ppm ethanol at 250 °C, which is about 6 times that of pure ZnO material. In addition, the Au/ZnO-1.0 sensor has good selectivity for ethanol. According to density functional theory (DFT) calculations, the adsorption energy of Au/ZnO for ethanol (−1.813 eV) is significantly greater than that of pure ZnO (−0.217 eV). Furthermore, the adsorption energy for ethanol is greater than that of other gases.

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“…More specifically, the shorter the adsorption distance, the stronger the adsorption interaction. For instance, for the comparison of the gas adsorption performance between intrinsic ZnO and Pd decorated-ZnO, Liangruksa et al [ 77 ] investigated the adsorption distances between the H 2 molecule and the nearest atoms of the substrates after adsorption. In detail, the adsorption distances for d O(ZnO)−H(gas) and d Pd(Pd2 cluster)−H(gas) are calculated to be 3.70 and 1.58 Å, respectively, implying the enhanced H 2 gas adsorption interaction after Pd decoration on the ZnO surface.…”

Section: Gas Sensing Mechanisms Of Noble Metal-decorated Smosmentioning

confidence: 99%

Advances in Noble Metal-Decorated Metal Oxide Nanomaterials for Chemiresistive Gas Sensors: Overview

et al. 2023

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Highly sensitive gas sensors with remarkably low detection limits are attractive for diverse practical application fields including real-time environmental monitoring, exhaled breath diagnosis, and food freshness analysis. Among various chemiresistive sensing materials, noble metal-decorated semiconducting metal oxides (SMOs) have currently aroused extensive attention by virtue of the unique electronic and catalytic properties of noble metals. This review highlights the research progress on the designs and applications of different noble metal-decorated SMOs with diverse nanostructures (e.g., nanoparticles, nanowires, nanorods, nanosheets, nanoflowers, and microspheres) for high-performance gas sensors with higher response, faster response/recovery speed, lower operating temperature, and ultra-low detection limits. The key topics include Pt, Pd, Au, other noble metals (e.g., Ag, Ru, and Rh.), and bimetals-decorated SMOs containing ZnO, SnO2, WO3, other SMOs (e.g., In2O3, Fe2O3, and CuO), and heterostructured SMOs. In addition to conventional devices, the innovative applications like photo-assisted room temperature gas sensors and mechanically flexible smart wearable devices are also discussed. Moreover, the relevant mechanisms for the sensing performance improvement caused by noble metal decoration, including the electronic sensitization effect and the chemical sensitization effect, have also been summarized in detail. Finally, major challenges and future perspectives towards noble metal-decorated SMOs-based chemiresistive gas sensors are proposed.

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Gas sensing properties of palladium-modified zinc oxide nanofilms: A DFT study

Cited by 27 publications

References 68 publications

Design, Fabrication, and Packaging of an Optothermally Activated Nanocrystalline Pd–ZnO-Based Selective CO Sensor on a Screen-Printed In-Plane Heater

Design, Fabrication, and Packaging of an Optothermally Activated Nanocrystalline Pd–ZnO-Based Selective CO Sensor on a Screen-Printed In-Plane Heater

Ethanol Sensing Properties and First Principles Study of Au Supported on Mesoporous ZnO Derived from Metal Organic Framework ZIF-8

Advances in Noble Metal-Decorated Metal Oxide Nanomaterials for Chemiresistive Gas Sensors: Overview

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