scholarly journals DFT study of binding and electron transfer from colorless aromatic pollutants to a TiO2 nanocluster: Application to photocatalytic degradation under visible light irradiation

2014 ◽  
Vol 5 ◽  
pp. 1016-1030 ◽  
Author(s):  
Corneliu I Oprea ◽  
Petre Panait ◽  
Mihai A Gîrţu
Keyword(s):  
Visible Light ◽  
Photocatalytic Degradation ◽  
Visible Light Irradiation ◽  
Density Functional ◽  
Energy Levels ◽  
Degradation Process ◽  
Light Irradiation ◽  
Functional Theory ◽  
Water Cleaning ◽  
Effective Water

We report results of density functional theory (DFT) calculations on some colorless aromatic systems adsorbed on a TiO2 nanocluster, in order to explain experimental results regarding the photocatalytic degradation of these pollutants under visible light irradiation. Based on our modeling, we are able to clarify why transparent pollutants can degrade under visible light in the presence of a catalyst that absorbs only in the UV, to explain experimental data regarding differences in the efficiency of the degradation process, and to state the key requirements for effective water-cleaning. For that purpose, we analyze the absorption spectrum of the free and adsorbed molecules, the binding configurations, the matching of the energy levels with the oxide catalyst and the likelihood of the charge-transfer to the substrate. The comparison between several colorless aniline and phenolic systems allows a correlation between the chemical structure and the degradation rate of these pollutants.

scholarly journals Achieving the enhanced photocatalytic degradation of ceftriaxone sodium using CdS-g-C3N4 nanocomposite under visible light irradiation: RSM modeling and optimization

2021 ◽  
Author(s):  
Naime AttariKhasraghi ◽  
Karim Zare ◽  
Ali Mehrizad ◽  
Nasser Modirshahla ◽  
Mohammad Ali Behnajady
Keyword(s):  
Electron Microscopy ◽  
Visible Light ◽  
Photocatalytic Degradation ◽  
Visible Light Irradiation ◽  
Irradiation Time ◽  
Energy Levels ◽  
Light Irradiation ◽  
X Ray ◽  
Ceftriaxone Sodium ◽  
Operational Variables

Abstract In this research, the cadmium sulfide - graphite carbon nitride (CdS-g-C3N4) nanocomposite was synthesized and characterized by X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectrometer (EDX), and transmission electron microscopy (TEM) techniques. The photocatalytic activity of as-prepared nanocomposite was evaluated in the degradation of ceftriaxone sodium (CTX) antibiotic from aqueous solution under visible light irradiation. The influence of the operational variables such as the amount of photocatalyst (g/L), initial CTX concentration (mg/L), pH, and irradiation time (min) on the photodegradation process was investigated and optimized using response surface methodology (RSM) - central composite design (CCD) model. The maximum degradation percentage (92.55 %) was obtained in the optimal condition, including 0.06 g/L of CdS-g-C3N4 photocatalyst, 15 mg/L of CTX, pH= 10.5, and irradiation time = 81 min. The efficient photocatalytic performance of CdS-g-C3N4 nanocomposite is due to the appropriate alignment of energy levels between the CdS and g-C3N4, which synergistically impact the charge separation and the degradation efficiency of CTX. The kinetics of the photocatalytic degradation process was well described by Langmuir-Hinshelwood’s pseudo-first-order model (kapp = 0.0336 min-1).

Synthesis of Cu2O/NiFe2O4 Magnetic Complex and its Application in Photocatalytic Degradation

2012 ◽  
Vol 486 ◽  
pp. 356-361
Author(s):  
Li Jun Yan ◽  
Jun Zuo ◽  
Yue Cheng ◽  
Tan Tan Ge ◽  
Xiao Juan Yan ◽  
...  
Keyword(s):  
Visible Light ◽  
Photocatalytic Degradation ◽  
Saturation Magnetization ◽  
Visible Light Irradiation ◽  
Degradation Process ◽  
Light Irradiation ◽  
Decomposition Rates ◽  
Prepared Material ◽  
Xrd Patterns ◽  
Magnetic Complex

In order to enhance the re-collecting ability of Cu2O, Cu2O/NiFe2O4 magnetic complex was synthesized in this paper. XRD patterns showed the prepared material was the complex of Cu2O and NiFe2O4. The saturation magnetization (Ms) of Cu2O/NiFe2O4 magnetic complex was 12.056emu/g. The Cu2O/NiFe2O4 magnetic complex was used for the decolorization of P-nitrophenol solution in a photocatalytic degradation reactor under the visible light irradiation. In this work, the Cu2O/NiFe2O4 magnetic complex is recycled for 3 times, and the decomposition rates are all above 60%. The XRD also showed that the Cu2O/NiFe2O4 complex was neither oxidized nor deoxidized in the photocatalytic degradation process. It can be concluded that the prepared Cu2O/NiFe2O4 complex can be recycled applied to photocatalytic degradation treatment.

Cu Doped TiO2: Visible Light Assisted Photocatalytic Antimicrobial Activity and High Temperature Anatase Stability

2018 ◽  
Author(s):  
Snehamol Mathew ◽  
Priyanka Ganguly ◽  
Stephen Rhatigan ◽  
Vignesh Kumaravel ◽  
Ciara Byrne ◽  
...  
Keyword(s):  
Visible Light ◽  
Visible Light Irradiation ◽  
Density Functional ◽  
Anatase Phase ◽  
Sol Gel ◽  
Chemical Properties ◽  
Light Irradiation ◽  
Health Concern ◽  
Bacterial Inactivation ◽  
X Ray

Indoor surface contamination by microbes is a major public health concern. A damp environment is one potential sources for microbe proliferation. Smart photocatalytic coatings on building surfaces using semiconductors like titania (TiO<sub>2</sub>) can effectively curb this growing threat.<b> </b>Metal-doped titania in anatase phase has been proved as a promising candidate for energy and environmental applications. In this present work, the antimicrobial efficacy of copper (Cu) doped TiO<sub>2 </sub>(Cu-TiO<sub>2</sub>) was evaluated against <i>Escherichia coli</i> (Gram-negative) and <i>Staphylococcus aureus</i> (Gram-positive) under visible light irradiation. Doping of a minute fraction of Cu (0.5 mol %) in TiO<sub>2 </sub>was carried out <i>via</i> sol-gel technique. Cu-TiO<sub>2</sub> further calcined at various temperatures (in the range of 500 °C – 700 °C) to evaluate the thermal stability of TiO<sub>2</sub> anatase phase. The physico-chemical properties of the samples were characterised through X-ray diffraction (XRD), Raman spectroscopy, X-ray photo-electron spectroscopy (XPS) and UV-visible spectroscopy techniques. XRD results revealed that the anatase phase of TiO<sub>2</sub> was maintained well, up to 650 °C, by the Cu dopant. UV-DRS results suggested that the visible light absorption property of Cu-TiO<sub>2 </sub>was enhanced and the band gap is reduced to 2.8 eV. Density functional theory (DFT) studies emphasises the introduction of Cu<sup>+</sup> and Cu<sup>2+</sup> ions by replacing Ti<sup>4+</sup> ions in the TiO<sub>2</sub> lattice, creating oxygen vacancies. These further promoted the photocatalytic efficiency. A significantly high bacterial inactivation (99.9%) was attained in 30 mins of visible light irradiation by Cu-TiO<sub>2</sub>.

scholarly journals Fabrication of AgCl/Ag3PO4/graphitic carbon nitride heterojunctions for enhanced visible light photocatalytic decomposition of methylene blue, methylparaben and E. coli

RSC Advances ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 6383-6394 ◽  
Author(s):  
Haishuai Li ◽  
Linlin Cai ◽  
Xin Wang ◽  
Huixian Shi
Keyword(s):  
Methylene Blue ◽  
Visible Light ◽  
Photocatalytic Degradation ◽  
Visible Light Irradiation ◽  
Carbon Nitride ◽  
Light Irradiation ◽  
Graphitic Carbon Nitride ◽  
Photocatalytic Decomposition ◽  
E Coli ◽  
Visible Light Photocatalytic

A noval ternary nanocomposite AgCl/Ag3PO4/g-C3N4 was successfully synthesized for photocatalytic degradation of methylene blue, methylparaben and inactivation of E. coli under visible light irradiation, showing excellent photocatalytic degradation performance and stability.

In2S3/BiOI composites boost visible-light photocatalytic degradation of tetracycline hydrochloride

CrystEngComm ◽  
2021 ◽  
Author(s):  
Panbing Hu ◽  
Yanmei Xin ◽  
Congfei Yao ◽  
Yuqing Miao
Keyword(s):  
Visible Light ◽  
Photocatalytic Degradation ◽  
Visible Light Irradiation ◽  
Room Temperature ◽  
Light Irradiation ◽  
Tetracycline Hydrochloride ◽  
Structure And Morphology ◽  
Morphology Characterization ◽  
Visible Light Photocatalytic

The In2S3/BiOI composites were synthesized at room temperature which significantly improved the photocatalytic degradation performance of tetracycline hydrochloride (TC) under visible light irradiation. Structure and morphology characterization have been performed...

ZrO2/g-C3N4 with enhanced photocatalytic degradation of methylene blue under visible light irradiation

2014 ◽  
Vol 29 (20) ◽  
pp. 2473-2482 ◽  
Author(s):  
Yingchang Ke ◽  
Hongxu Guo ◽  
Dongfang Wang ◽  
Jianhua Chen ◽  
Wen Weng
Keyword(s):  
Methylene Blue ◽  
Visible Light ◽  
Photocatalytic Degradation ◽  
Visible Light Irradiation ◽  
Light Irradiation ◽  
Image Position

Abstract

Solvothermal synthesis and visible light-driven photocatalytic degradation for tetracycline of Fe-doped SrTiO3

RSC Advances ◽  
2014 ◽  
Vol 4 (88) ◽  
pp. 47615-47624 ◽  
Author(s):  
Ping Li ◽  
Chunbo Liu ◽  
Guoling Wu ◽  
Yang Heng ◽  
Shuang Lin ◽  
...  
Keyword(s):  
Visible Light ◽  
Photocatalytic Degradation ◽  
Visible Light Irradiation ◽  
Solvothermal Synthesis ◽  
Solvothermal Method ◽  
Light Irradiation ◽  
Photocatalytic Activities ◽  
Visible Light Driven ◽  
Facile Solvothermal Method

In this paper, Fe-doped SrTiO3 (FSTO) photocatalysts were successfully prepared via a facile solvothermal method, and their photocatalytic activities for degrading tetracycline (TC) under visible light irradiation were examined.

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