Photocatalytic degradation of the organophosphorus insecticide chlorpyrifos in aqueous suspensions using a novel activated carbon ZrO2-ZnO nanocomposite under UV light

Ezung, Soremo L.; Baruah, Mridushmita; Kumar, Suraj; Sharma, Sanjay; Sinha, Dipak

doi:10.1007/s11814-022-1354-2

Cited by 5 publications

(4 citation statements)

References 64 publications

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“…The probability reason of declining paracetamol degradation at higher concentration are blocking active sites of catalyst by more molecules reactant which decreasing the catalyst active sites [17] and decreasing light-penetration to the solution [25,26]. The same trend is also obtained by Soremo on degradation of insecticide chlorpyrifos by photocatalysis ZrO 2 -ZnO nanocomposite [13].…”

Section: The Effect Of Initial Concentration Paracetamol On Degradationmentioning

confidence: 53%

“…Moreover, this technique is applicable at room temperature, low energy consumption, and environmental clean-up. The common pho-active metal oxide as catalysts used in this technique were ZnO [9,10], TiO 2 [11], ZnS, WO 3 , Bi 2 O 3 [12], ZrO [13], and biochar-TiO 2 composite [14]. Among those semiconductor materials, Titanium dioxide (TiO 2 ) is selected as a catalyst because of stabilization in aqueous media, effectively employed in the abatement of aqueous pollution, high performance, stable towards photo-corrosion, biologically and chemically inert, nontoxic, and low cost [15].…”

Section: Introductionmentioning

confidence: 99%

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INVESTIGATING THE EFFECT OF HYDROGEN PEROXIDE ON PHOTOCATALYTIC DEGRADATION OF COMMERCIAL PARACETAMOL USING TiO2

Khoiriah,

Putri,

Ratnawati

et al. 2024

JCTM

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The role of hydrogen peroxide on paracetamol degradation was investigated. Photocatalysis system contains UV radiation and commercial titania (TiO2 ) as catalyst. The parameters studied for optimal photocatalysis conditions were catalyst dose (0.05 - 0.2 g), initial concentration of paracetamol (5 - 20 mg L-1), and irradiation times (0 - 210 min). Optimal condition obtained by determining the changes of paracetamol concentration converted to be degradation percentage. The influence of hydrogen peroxide concentrations (1 % - 7 %) on photocatalysis TiO2 system was studied. The highest paracetamol degradation was obtained at addition of 3 %. It gives positive effect on degradation process. Thus, hybrid process (UV / TiO2 / H2O2 ) is more effective in comparison to the process UV/ TiO2 and UV/H2O2. Paracetamol (5 mg L-1) was degraded about 90.80 % using 0.1 g TiO2 , 3 % H2O2 addition for 180 min. According to the GC-MS analysis results, paracetamol degradation forms new less toxic by-products. The hybrid process is an alternative technique for degradation of wastewater containing paracetamol.

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Section: The Effect Of Initial Concentration Paracetamol On Degradationmentioning

confidence: 53%

Section: Introductionmentioning

confidence: 99%

INVESTIGATING THE EFFECT OF HYDROGEN PEROXIDE ON PHOTOCATALYTIC DEGRADATION OF COMMERCIAL PARACETAMOL USING TiO2

Khoiriah,

Putri,

Ratnawati

et al. 2024

JCTM

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“…First-principles (ab initio) methods within the framework of DFT are successfully used in modern materials science regarding condensed matter physics [39][40][41][42][43][44][45][46][47][48].…”

Section: Modeling Detailsmentioning

confidence: 99%

“…The kinetic energy cutoff was fixed at 600 eV, and all calculations were carried out while taking spin-polarized effects into account. First-principles (ab initio) methods within the framework of DFT are successfully used in modern materials science regarding condensed matter physics [39][40][41][42][43][44][45][46][47][48].…”

Section: Modeling Detailsmentioning

confidence: 99%

A Detailed Comparative Analysis of the Structural Stability and Electron-Phonon Properties of ZrO2: Mechanisms of Water Adsorption on t-ZrO2 (101) and t-YSZ (101) Surfaces

Nematov,

Burhonzoda,

Kholmurodov

et al. 2023

Nanomaterials

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In this study, we considered the structural stability, electronic properties, and phonon dispersion of the cubic (c-ZrO2), tetragonal (t-ZrO2), and monoclinic (m-ZrO2) phases of ZrO2. We found that the monoclinic phase of zirconium dioxide is the most stable among the three phases in terms of total energy, lowest enthalpy, highest entropy, and other thermodynamic properties. The smallest negative modes were found for m-ZrO2. Our analysis of the electronic properties showed that during the m–t phase transformation of ZrO2, the Fermi level first shifts by 0.125 eV toward higher energies, and then decreases by 0.08 eV in the t–c cross-section. The band gaps for c-ZrO2, t-ZrO2, and m-ZrO2 are 5.140 eV, 5.898 eV, and 5.288 eV, respectively. Calculations based on the analysis of the influence of doping 3.23, 6.67, 10.35, and 16.15 mol. %Y2O3 onto the m-ZrO2 structure showed that the enthalpy of m-YSZ decreases linearly, which accompanies the further stabilization of monoclinic ZrO2 and an increase in its defectiveness. A doping-induced and concentration-dependent phase transition in ZrO2 under the influence of Y2O3 was discovered, due to which the position of the Fermi level changes and the energy gap decreases. It has been established that the main contribution to the formation of the conduction band is made by the p-states of electrons, not only for pure systems, but also those doped with Y2O3. The t-ZrO2 (101) and t-YSZ (101) surface models were selected as optimal surfaces for water adsorption based on a comparison of their surface energies. An analysis of the mechanism of water adsorption on the surface of t-ZrO2 (101) and t-YSZ (101) showed that H2O on unstabilized t-ZrO2 (101) is adsorbed dissociatively with an energy of −1.22 eV, as well as by the method of molecular chemisorption with an energy of −0.69 eV and the formation of a hydrogen bond with a bond length of 1.01 Å. In the case of t-YSZ (101), water is molecularly adsorbed onto the surface with an energy of −1.84 eV. Dissociative adsorption of water occurs at an energy of −1.23 eV, near the yttrium atom. The results show that ab initio approaches are able to describe the mechanism of doping-induced phase transitions in (ZrO2+Y2O3)-like systems, based on which it can be assumed that DFT calculations can also flawlessly evaluate other physical and chemical properties of YSZ, which have not yet been studied quantum chemical research. The obtained results complement the database of research works carried out in the field of the application of biocompatible zirconium dioxide crystals and ceramics in green energy generation, and can be used in designing humidity-to-electricity converters and in creating solid oxide fuel cells based on ZrO2.

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Strategic wet-chemical combination of activated charcoal with copper zirconate for enhanced electrocatalytic performance

Batool,

Rashid,

Nazir

et al. 2023

J Mater Sci: Mater Electron

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Photocatalytic degradation of the organophosphorus insecticide chlorpyrifos in aqueous suspensions using a novel activated carbon ZrO2-ZnO nanocomposite under UV light

Cited by 5 publications

References 64 publications

INVESTIGATING THE EFFECT OF HYDROGEN PEROXIDE ON PHOTOCATALYTIC DEGRADATION OF COMMERCIAL PARACETAMOL USING TiO2

INVESTIGATING THE EFFECT OF HYDROGEN PEROXIDE ON PHOTOCATALYTIC DEGRADATION OF COMMERCIAL PARACETAMOL USING TiO2

A Detailed Comparative Analysis of the Structural Stability and Electron-Phonon Properties of ZrO2: Mechanisms of Water Adsorption on t-ZrO2 (101) and t-YSZ (101) Surfaces

Strategic wet-chemical combination of activated charcoal with copper zirconate for enhanced electrocatalytic performance

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