The first principles calculations of CO2 adsorption on (101¯0) ZnO surface

Usseinov, А.; Аkilbekov, A.; Kotomin, E. A.; Попов, А. И.; Seitov, D. D.; Nekrasov, K. A.; Giniyatova, Sh.; Karipbayev, Zhakyp

doi:10.1063/1.5134332

Cited by 10 publications

(10 citation statements)

References 27 publications

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“…Adsorption-based sensors use the change in conductivity of a thin layer of metal oxide caused by the adsorption of CO

. Although the latter adsorption has been studied for a number of years [ 150 , 151 , 152 , 153 , 154 ], its mechanism is still not entirely understood and remains a discussed topic in the scientific community [ 155 , 156 , 157 , 158 ]. Indeed, both physical adsorption and chemisorption appear to take place at the metal-oxide interface, and the reduction of CO

into CO

may not be the only mechanism involved [ 157 ].…”

Section: Review Of Co Sensing Techniquesmentioning

confidence: 99%

Carbon Dioxide Sensing—Biomedical Applications to Human Subjects

Dervieux¹,

Théron

Uhring

2021

Sensors

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Carbon dioxide (CO2) monitoring in human subjects is of crucial importance in medical practice. Transcutaneous monitors based on the Stow-Severinghaus electrode make a good alternative to the painful and risky arterial “blood gases” sampling. Yet, such monitors are not only expensive, but also bulky and continuously drifting, requiring frequent recalibrations by trained medical staff. Aiming at finding alternatives, the full panel of CO2 measurement techniques is thoroughly reviewed. The physicochemical working principle of each sensing technique is given, as well as some typical merit criteria, advantages, and drawbacks. An overview of the main CO2 monitoring methods and sites routinely used in clinical practice is also provided, revealing their constraints and specificities. The reviewed CO2 sensing techniques are then evaluated in view of the latter clinical constraints and transcutaneous sensing coupled to a dye-based fluorescence CO2 sensing seems to offer the best potential for the development of a future non-invasive clinical CO2 monitor.

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“…Adsorption-based sensors use the change in conductivity of a thin layer of metal oxide caused by the adsorption of CO

into CO

may not be the only mechanism involved [ 157 ].…”

Section: Review Of Co Sensing Techniquesmentioning

confidence: 99%

Carbon Dioxide Sensing—Biomedical Applications to Human Subjects

Dervieux¹,

Théron

Uhring

2021

Sensors

View full text Add to dashboard Cite

show abstract

“…Recent theoretical investigations [25][26][27][28][29][30] confirm that the heterostructures made of ZnO ML and TMD ML can actually enhance photon absorption under visible light irradiation. There is also a distinct interest in industrial use of MX 2 @ZnO heterostructures for applications towards environmental remediation and photocatalytic degradation of methyl blue [31,32].…”

Section: Introductionmentioning

confidence: 94%

Excited States Calculations of MoS2@ZnO and WS2@ZnO Two-Dimensional Nanocomposites for Water-Splitting Applications

et al. 2021

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Transition metal dichalcogenide (TMD) MoS2 and WS2 monolayers (MLs) deposited atop of crystalline zinc oxide (ZnO) and graphene-like ZnO (g-ZnO) substrates have been investigated by means of density functional theory (DFT) using PBE and GLLBSC exchange-correlation functionals. In this work, the electronic structure and optical properties of studied hybrid nanomaterials are described in view of the influence of ZnO substrates thickness on the MoS2@ZnO and WS2@ZnO two-dimensional (2D) nanocomposites. The thicker ZnO substrate not only triggers the decrease of the imaginary part of dielectric function relatively to more thinner g-ZnO but also results in the less accumulated charge density in the vicinity of the Mo and W atoms at the conduction band minimum. Based on the results of our calculations, we predict that MoS2 and WS2 monolayers placed at g-ZnO substrate yield essential enhancement of the photoabsorption in the visible region of solar spectra and, thus, can be used as a promising catalyst for photo-driven water splitting applications.

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“…In this respect, semiconductors such as silicon Si [17], zinc oxide ZnO [18], cadmium sulfide CdS [19], cadmium telluride CdTe [20], etc., have received considerable attention. In particular, ZnO has been the subject of significant research for many years due to its successful synthesis technology and its promise for numerous applications [21,22]. Although ZnO has a low surface nanostructuring capacity, this material is now widely used as a substrate for the synthesis of multilayer heterostructures [23,24].…”

Section: Introductionmentioning

confidence: 99%

Characterization of CdxTeyOz/CdS/ZnO Heterostructures Synthesized by the SILAR Method

et al. 2023

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CdxTeyOz/CdS/ZnO heterostructures were obtained by the SILAR method using ionic electrolytes. A CdS film was formed as a buffer layer for better adhesion of the cadmium-tellurium oxides to the substrate surface. In turn, the ZnO substrate was previously prepared by electrochemical etching to form a rough textured surface. In addition, an annealing mode was used in an oxygen stream to complete the oxidation process of the heterostructure surface. The resulting nanocomposite was investigated using RAMAN, XRD, SEM, and EDX methods. We assume that the oxides CdO and TeO4 initially form on the surface and later evolve into TeO2 and TeO3 when saturated with oxygen. These oxides, in turn, are the components of the ternary oxides CdTeO3 and CdTe3O8. It should be noted that this mechanism has not been fully studied and requires further research. However, the results presented in this article make it possible to systematize the data and experimental observations regarding the formation of cadmium-tellurium films.

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The first principles calculations of CO2 adsorption on (101¯0) ZnO surface

Cited by 10 publications

References 27 publications

Carbon Dioxide Sensing—Biomedical Applications to Human Subjects

Carbon Dioxide Sensing—Biomedical Applications to Human Subjects

Excited States Calculations of MoS2@ZnO and WS2@ZnO Two-Dimensional Nanocomposites for Water-Splitting Applications

Characterization of CdxTeyOz/CdS/ZnO Heterostructures Synthesized by the SILAR Method

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