scholarly journals DFT-based Theoretical Simulations for Photocatalytic Applications Using TiO2

2017 ◽  
Author(s):  
Yeliz Gurdal ◽  
Marcella Iannuzzi
Keyword(s):  
Theoretical Simulations ◽  
Photocatalytic Applications

Synthesis of ZnO/ZnFe2O4 nanocomposites in organic-free media and their photocatalytic activity under natural sunlight

2020 ◽  
Vol 14 (2) ◽  
pp. 6801-6810
Author(s):  
Rahmayeni Rahmayeni ◽  
Zulhadjri Zulhadjri ◽  
Yeni Stiadi ◽  
Agusnar Harry ◽  
Syukri Arief
Keyword(s):  
Electron Microscopy ◽  
Hexagonal Wurtzite Structure ◽  
Rice Grain ◽  
X Ray Diffraction ◽  
Homogeneous Sphere ◽  
Natural Sunlight ◽  
Transmission Electron ◽  
Photocatalytic Activities ◽  
Free Media ◽  
Photocatalytic Applications

Nanocomposite ZnO/ZnFe2O4 photocatalysts with different proportions of ZnFe2O4 were synthesized in organic-free media using metal nitric as precursors. The ZnO phase with hexagonal wurtzite structure and low crystallinity of ZnFe2O4 was confirmed using XRD (X-Ray diffraction). Different morphologies of the nanocomposites were obtained ranging from rice grain-like with a porous surface to homogeneous sphere-like nanoparticles as shown in Scanning Electron Microscopy (SEM) and TEM Transmission Electron Microscopy (TEM) studies. Magnetic properties measured by Visible Sampler Magnetometer (VSM) showed diamagnetic and paramagnetic behavior for the nanocomposites. Analysis with Diffuse Reflectance Spectrophotometer (DRS) UV-vis showed an increase the composition of ferrite in composites increasing its ability to absorb visible light. Photocatalytic activities of ZnO/ZnFe2O4 nanocomposites on the degradation of Rhodamine B dye reached 95.6% after 3 h under natural sunlight suggesting their suitability for sunlight driven photocatalytic applications. 

Ti3C2-MXene/Bismuth Ferrite Nanohybrids for Efficient Degradation of Organic Dye and Colorless Pollutant

2019 ◽  
Author(s):  
Ayesha Tariq ◽  
M. Abdullah Iqbal ◽  
S. Irfan Ali ◽  
Muhammad Z. Iqbal ◽  
Deji Akinwande ◽  
...  
Keyword(s):  
Surface Area ◽  
Low Cost ◽  
Bismuth Ferrite ◽  
Organic Dye ◽  
Two Dimensional ◽  
Electron Hole ◽  
Photocatalytic Application ◽  
Electron Hole Pair ◽  
Pair Generation ◽  
Photocatalytic Applications

<p>Nanohybrids, made up of Bismuth ferrites/Carbon allotropes, are extensively used in photocatalytic applications nowadays. Our work proposes a nanohybrid system composed of Bismuth ferrite nanoparticles with two-dimensional (2D) MXene sheets namely, the BiFeO<sub>3</sub> (BFO)/Ti<sub>3</sub>C<sub>2</sub> (MXene) nanohybrid for enhanced photocatalytic activity. We have fabricated the BFO/MXene nanohybrid using simple and low cost double solvent solvothermal method. The SEM and TEM images show that the BFO nanoparticles were attached onto the MXene surface and in the inter-layers of two-dimensional (2D) MXene sheets. The photocatalytic application is tested for the visible light irradiation which showed the highest efficiency among all pure-BFO based photocatalysts, i.e. 100% degradation in 42 min for organic dye (Congo Red) and colorless aqueous pollutant (acetophenone) in 150 min, respectively. The present BFO-based hybrid system exhibited the large surface area of 147 m<sup>2</sup>g<sup>-1</sup>measured via Brunauer-Emmett-Teller (BET) sorption-desorption technique, and is found to be largest among BFO and its derivatives. Also, the photoluminescence (PL) spectra indicate large electron-hole pair generation. Fast and efficient degradation of organic molecules is supported by both factors; larger surface area and lower electron-hole recombination rate. The BFO/MXene nanohybrid presented here is a highly efficient photocatalyst compared to other nanostructures based on pure BiFeO<sub>3</sub> which makes it a promising candidate for many future applications.</p>

HYDROTHERMAL SYNTHESIZED TiO2 BASED NANOPOWDERS FOR PHOTOCATALYTIC APPLICATIONS

2011 ◽  
Vol 10 (9) ◽  
pp. 1299-1303
Author(s):  
Adrian Mihail Motoc ◽  
Radu Robert Piticescu ◽  
Radu Adrian Carcel ◽  
Anca Duta ◽  
Oana Raita
Keyword(s):  
Photocatalytic Applications

Hydrothermal In Situ Synthesis ZnO Nanoarrays and Their Photocatalytic Applications

2013 ◽  
Vol 30 (6) ◽  
pp. 667
Author(s):  
Zhenzhen WANG ◽  
Fangfang LI ◽  
Han GUO ◽  
Jiuju FENG ◽  
Aijun WANG
Keyword(s):  
In Situ Synthesis ◽  
Photocatalytic Applications

Comparison of Aerobic and Anoxic-Aerobic Digestion of Waste Activated Sludge

1985 ◽  
Vol 17 (8) ◽  
pp. 1475-1478 ◽  
Author(s):  
A P. C. Warner ◽  
G. A. Ekama ◽  
G v. R. Marais
Keyword(s):  
Experimental Data ◽  
Activated Sludge ◽  
Waste Activated Sludge ◽  
Activated Sludge Process ◽  
Cycle Times ◽  
Waste Sludge ◽  
Volatile Solids ◽  
In Series ◽  
Flow Through ◽  
Theoretical Simulations

The laboratory scale experimental investigation comprised a 6 day sludge age activated sludge process, the waste sludge of which was fed to a number of digesters operated as follows: single reactor flow through digesters at 4 or 6 days sludge age, under aerobic and anoxic-aerobic conditions (with 1,5 and 4 h cycle times) and 3-in-series flow through aerobic digesters each at 4 days sludge age; all digesters were fed draw-and-fill wise once per day. The general kinetic model for the aerobic activated sludge process set out by Dold et al., (1980) and extended to the anoxic-aerobic process by van Haandel et al., (1981) simulated accurately all the experimental data (Figs 1 to 4) without the need for adjusting the kinetic constants. Both theoretical simulations and experimental data indicate that (i) the rate of volatile solids destruction is not affected by the incorporation of anoxic cycles and (ii) the specific denitrification rate is independent of sludge age and is K4T = 0,046(l,029)(T-20) mgNO3-N/(mg active VSS. d) i.e. about 2/3 of that in the secondary anoxic of the single sludge activated sludge stystem. An important consequence of (i) and (ii) above is that denitrification can be integrated easily in the steady state digester model of Marais and Ekama (1976) and used for design (Warner et al., 1983).

o-Alkylselenenylated Benzoic Acid Accesses Several Sites in Serum Albumin According to Fluorescence Studies, Raman Spectroscopy and Theoretical Simulations

2013 ◽  
Vol 20 (6) ◽  
pp. 705-714 ◽  
Author(s):  
Federico Martinez-Ramos ◽  
Yadira Fonseca-Sabater ◽  
Marvin A. Soriano-Ursua ◽  
Eduardo Torres ◽  
Martha C. Rosales-Hernandez ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Benzoic Acid ◽  
Serum Albumin ◽  
Fluorescence Studies ◽  
Theoretical Simulations

Recent Advances on TiO2 Thin Film Based Photocatalytic Applications (A Review)

2015 ◽  
Vol 11 (3) ◽  
pp. 271-285 ◽  
Author(s):  
Meghshyam Patil ◽  
Sharekh Shaikh ◽  
Ibram Ganesh
Keyword(s):  
Thin Film ◽  
Recent Advances ◽  
Photocatalytic Applications

Green Synthesis of ZnO/Dy/NiO Heterostructures for Enhanced Photocatalytic Applications

2020 ◽  
Vol 1 (1) ◽  
pp. 30-36
Author(s):  
Shubha Jayachamarajapura Pranesh ◽  
Diwya Lanka
Keyword(s):  
Visible Light ◽  
Uv Light ◽  
Combustion Method ◽  
Hybrid Nanocomposites ◽  
Synthetic Dyes ◽  
Hybrid Nanostructure ◽  
Wide Range ◽  
Visible Light Active ◽  
Textile Industries ◽  
Photocatalytic Applications

Background: Textile industries discharge harmful synthetic dyes to nearby water sources. These colour effluents should be treated before discharge to reduce the toxicity caused by synthetic colours. Objective: To synthesize visible light active superstructures to reduce water pollution caused by textile industries. Methods: We have successfully synthesized ZnO/Dy/NiO hybrid nanocomposites using waste curd as fuel by a simple combustion method. The obtained material was able to reduce recombination and enhanced the photocatalytic degradation of organic pollutants. The as-synthesized material was characterized by XRD, absorption spectroscopy, FESEM, EDAX, etc. The obtained hybrid nanostructure was used as a photocatalyst for the degradation of methylene blue under sunlight, UV light as well as in dark. Comparative experiments were carried out with a variation of catalytic load, pH, dye concentrations, etc. for a better understanding of the performance of the catalyst at various conditions. Results and Conclusion: The ternary compound shows wide range of absorption by expanding absorption band both in UV and visible regions. ZnO/Dy/NiO hybrid nanocomposites performed well and showed uniqueness in the activity uder visible light.

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