scholarly journals Engineering the band gap of bare titanium dioxide materials for visible-light activity: a theoretical prediction

RSC Advances ◽  
2013 ◽  
Vol 3 (23) ◽  
pp. 8777 ◽  
Author(s):  
Yun Wang ◽  
Haimin Zhang ◽  
Porun Liu ◽  
Xiangdong Yao ◽  
Huijun Zhao
Nanoscale ◽  
2013 ◽  
Vol 5 (14) ◽  
pp. 6323 ◽  
Author(s):  
Shafeer Kalathil ◽  
Mohammad Mansoob Khan ◽  
Sajid Ali Ansari ◽  
Jintae Lee ◽  
Moo Hwan Cho

Catalysts ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 163 ◽  
Author(s):  
Numair Manzoor ◽  
Muhammad Sadiq ◽  
Muhammad Naqvi ◽  
Umair Sikandar ◽  
Salman Raza Naqvi

Ozone layer depletion is a serious threat due to the extensive release of greenhouse gases. The emission of carbon dioxide (CO2) from fossil fuel combustion is a major reason for global warming. Energy demands and climate change are coupled with each other. CO2is a major gas contributing to global warming; hence, the conversion of CO2 into useful products such as methanol, formic acid, formaldehyde, etc., under visible light is an attractive topic. Challenges associated with the current research include synthesizing a photocatalyst that is driven by visible light with a narrow band gap range between 2.5 and 3.0 eV, the separation of a mixed end product, and the two to three times faster recombination rate of an electron–hole pair compared with separation over yield. The purpose of the current research is to convert CO2 into useful fuel i.e., methanol; the current study focuses on the photocatalytic reduction of CO2into a useful product. This research is based on the profound analysis of published work, which allows the selection of appropriate methods and material for this research. In this study, zinc ferrite (ZnFe2O4) is synthesized via the modified sol–gel method and coupled with titanium dioxide (TiO2). Thereafter, the catalyst is characterized by Fourier transform infrared (FTIR), FE-SEM, UV–Vis, and XRD characterization techniques. UV–Vis illustrates that the synthesized catalyst has a low band gap and utilizes a major portion of visible light irradiation. The XRD pattern was confirmed by the formation of the desired catalyst. FE-SEM illustrated that the size of the catalyst ranges from 50 to 500 nm and BET analysis determined the surface area, which was 2.213 and 6.453 m2/g for ZnFe2O4 and ZnFe2O4/TiO2, respectively. The continuous gas flow photoreactor was used to study the activity of the synthesized catalyst, while titanium dioxide (TiO2) has been coupled with zinc ferrite (ZnFe2O4) under visible light in order to obtain the maximum yield of methanol as a single product and simultaneously avoid the conversion of CO2 into multiple products. The performance of ZnFe2O4/TiO2was mainly assessed through methanol yield with a variable amount of TiO2 over ZnFe2O4 (1:1, 1:2, 2:1, 1:3, and 3:1). The synthesized catalyst recycling ability has been tested up to five cycles. Finally, we concluded that the optimum conditions for maximum yield were found to be a calcination temperature of ZnFe2O4at 900 °C, and optimum yield was at a 1:1 w/w coupling ratio of ZnFe2O4/TiO2. It was observed that due to the enhancement in the electron–hole pair lifetime, the methanol yield at 141.22 μmol/gcat·h over ZnFe2O4/TiO2was found to be 7% higher than the earlier reported data.


RSC Advances ◽  
2015 ◽  
Vol 5 (8) ◽  
pp. 5958-5966 ◽  
Author(s):  
Velu Jeyalakshmi ◽  
Rajaram Mahalakshmy ◽  
Kanaparthi Ramesh ◽  
Peddy V. C. Rao ◽  
Nettem V. Choudary ◽  
...  

XRD, EDXA & XPS studies reveal incorporation of N, S & Fe in Sr3Ti2O7 matrix. Doping promotes visible light activity, Fe is the most effective dopant in reducing band gap and recombination Co-doping N, S & Fe together leads to maximum photo reduction activity.


2018 ◽  
Vol 232 ◽  
pp. 397-408 ◽  
Author(s):  
Zuzana Barbieriková ◽  
Eva Pližingrová ◽  
Monika Motlochová ◽  
Petr Bezdička ◽  
Jaroslav Boháček ◽  
...  

2021 ◽  
Author(s):  
Hakim BENTOUR ◽  
Mourad Boujnah ◽  
Mohamed Houmad ◽  
Mourad El Yadari ◽  
Abdelilah BENYOUSSEF ◽  
...  

Abstract The pure STiO3 has been experimentally demonstrated to catalyze H2 production using water splitting, but the reaction can only be driven by Ultraviolet (UV) radiation due to the large band gap of SrTiO3. This motivated us to search efficient strategy to tune its band gap, so that it can function in the visible region of the solar spectrum. In this study, the electronic, optical and photocatalytic properties of Se-doped, and Te-doped SrTiO3 has been investigated using density functional theory (DFT) within the generalized gradient approximation (GGA). Our results reveal that the effect of doping can lead to band gap narrowing without introducing any isolated mid-gap states. This improves greatly the visible light activity of SrTiO3 and depresses the recombination of photogenerated electron-hole pairs. Furthermore, the locations of calculated band edges relative to the water reduction and oxidation levels for doped systems meet the water-splitting requirements. Consequently, our results show that the performance of SrTiO3 for hydrogen generation by photocatalytic water splitting is significantly enhanced with Se and Te doping. In particular, Te doping can enhance greatly the visible light photocatalytic activity of SrTiO3. We expect this study can provide a theoretical basis for a prospective experimental works.


2010 ◽  
Vol 22 (12) ◽  
pp. 3704-3711 ◽  
Author(s):  
Pardis Simon ◽  
Bruno Pignon ◽  
Baoji Miao ◽  
Servane Coste-Leconte ◽  
Yann Leconte ◽  
...  

ChemPhysChem ◽  
2010 ◽  
Vol 11 (15) ◽  
pp. 3269-3272 ◽  
Author(s):  
FengHui Tian ◽  
ChengBu Liu ◽  
Dongju Zhang ◽  
Aiping Fu ◽  
Yunbo Duan ◽  
...  

2015 ◽  
Vol 44 (48) ◽  
pp. 20889-20897 ◽  
Author(s):  
Shaozheng Hu ◽  
Lin Ma ◽  
Ying Xie ◽  
Fayun Li ◽  
Zhiping Fan ◽  
...  

S–P codoping and oxygen functionalization influence the physical property, structural property, optical property and band gap energy of g-C3N4, which increases the anoxic RhB photo-degradation constant by ∼13 times.


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