Plasma-catalysis for VOCs decomposition: A review on micro- and macroscopic modeling

Journal of Hazardous Materials, Journal Year: 2023, Volume and Issue: 451, P. 131100 - 131100

Published: Feb. 27, 2023

Language: Английский

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Visible light photocatalytic activity of a FeCo metal-organic framework for degradation of acetaminophen and 2,4-dichlorophenoxyacetic acid and a nematode-based ecological assessment

Chemical Engineering Journal, Journal Year: 2023, Volume and Issue: 464, P. 142676 - 142676

Published: March 30, 2023

Language: Английский

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Analysis of Radioactive Iodine Trapping Mechanism by Zinc-Based Metal–Organic Frameworks with Various N-Containing Carboxylate Ligands

ACS Applied Materials & Interfaces, Journal Year: 2023, Volume and Issue: 15(29), P. 35082 - 35091

Published: July 17, 2023

This study aimed to develop effective adsorbents for capturing radioactive iodine in nuclear power waste gas. Two zinc metal-organic frameworks (Zn-MOFs) were synthesized and found have favorable properties such as a large surface area, thermal stability, rich π-electron-containing nitrogen, redox potential. Adsorption experiments revealed maximum capacities of 1.25 1.96 g g-1 the MOFs at 75 °C, with pseudo-second-order kinetic model fitting data well. The Langmuir equation provided better fit cyclohexane, adsorption amounts 249 358 mg Zn-MOF-1 Zn-MOF-2, respectively. also stable during six cycles desorption. Furthermore, electron transfer occurred due synergistic Zn, N, O atoms, resulting conversion some polyiodide. Zn-MOF-2 exhibited chemisorption than smaller highest occupied molecular orbital (HOMO)-lowest unoccupied (LUMO) gap. Notably, it was discovered that N-containing radicals had stronger interactions compared without N. These findings provide valuable insights into MOF synthesis environmental protection.

Language: Английский

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Doping of Graphene Nanostructure with Iron, Nickel and Zinc as Selective Detector for the Toxic Gas Removal: A Density Functional Theory Study

C – Journal of Carbon Research, Journal Year: 2023, Volume and Issue: 9(1), P. 20 - 20

Published: Feb. 9, 2023

In this research, the ability of transition metals (TM)-doped graphene nanosheets to adsorb toxic gas CO has been investigated. The Langmuir adsorption model was used, with a three-layered ONIOM, using CAM-B3LYP functional accompanying LANL2DZ and 6-31+G (d,p) basis sets, Gaussian 16 revision C.01 program, on complexes adsorbed (Fe, Ni, Zn)-doped nanosheets. order changes charge density for Fe-doped, Ni-doped, Zn-doped This shows greatest change Ni-doped nanosheet. However, based NMR spectroscopy, sharp peaks around area surface nanosheet have observed. addition, large effect bond orbitals C-Ni in CO, having maximum occupancy. values ΔGadso, calculated through IR, showed that ΔGads,CO→ Fe-doped GRo highest value, because transfer from oxygen atom carbon monoxide frontier molecular orbitals, HOMO LUMO, band energy gap some chemical reactivity parameters, revealed attributes electrical transport CO. As result, since molecule interacts simultaneously Fe, or Zn C-C nanosheet, at first it might be separated, as state constructs physical atom, then other could chemically surface. Finally, our results shown considerable amount occurs between molecules TM-doped after adsorption, which suggests is more sensitive selective than pristine

Language: Английский

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Metal organic framework template method for the preparation of bimetallic oxide CunCoOx catalysts for the catalytic oxidation of volatile organic compounds

Chemical Engineering Journal, Journal Year: 2023, Volume and Issue: 476, P. 146853 - 146853

Published: Oct. 23, 2023

Language: Английский

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