Energy States of a Core-Shell Metal Oxide Photocatalyst Enabling Visible Light Absorption and Utilization in Solar-to-Fuel Conversion of Carbon Dioxide

2016 ◽  
Vol 6 (14) ◽  
pp. 1600583 ◽  
Author(s):  
Dong Ki Lee ◽  
Ji Il Choi ◽  
Gyu Heon Lee ◽  
Yong-Hoon Kim ◽  
Jeung Ku Kang
2018 ◽  
Vol 10 (15) ◽  
pp. 12854-12861 ◽  
Author(s):  
Young Jun Tak ◽  
Dong Jun Kim ◽  
Won-Gi Kim ◽  
Jin Hyeok Lee ◽  
Si Joon Kim ◽  
...  

2017 ◽  
Author(s):  
Michael Nolan ◽  
Stephen Rhatigan

Surface modification with metal oxide nanoclusters has emerged as a candidate for the enhancement of the photocatalytic activity of titanium dioxide. An increase in visible light absorption and the suppression of charge carrier recombination are necessary to improve the efficiency. We have studied Mg<sub>4</sub>O<sub>4</sub> and Sn<sub>4</sub>O<sub>4</sub> nanoclusters modifying the (101) surface of anatase TiO<sub>2</sub> using density functional theory corrected for on-site Coulomb interactions (DFT + U). Such studies typically focus on the pristine surface, free of the point defects and surface hydroxyls present in real surfaces. We have also examined the impact of partial hydroxylation of the anatase surface on a variety of outcomes such as nanocluster adsorption, light absorption, charge separation and reducibility. Our results indicate that the modifiers adsorb strongly at the surface, irrespective of the presence of hydroxyl groups, and that modification extends light absorption into the visible range while enhancing UV activity. Our model for the excited state of the heterostructures demonstrates that photoexcited electrons and holes are separated onto the TiO<sub>2</sub> surface and metal oxide nanocluster respectively. Comparisons with bare TiO<sub>2</sub> and other TiO<sub>2</sub>-based photocatalyst materials are presented throughout.<br>


2012 ◽  
Vol 101 (7) ◽  
pp. 073105 ◽  
Author(s):  
Zhenxing Wang ◽  
Xueying Zhan ◽  
Yajun Wang ◽  
Muhammad Safdar ◽  
Mutong Niu ◽  
...  

Author(s):  
Michael Nolan ◽  
Stephen Rhatigan

Surface modification with metal oxide nanoclusters has emerged as a candidate for the enhancement of the photocatalytic activity of titanium dioxide. An increase in visible light absorption and the suppression of charge carrier recombination are necessary to improve the efficiency. We have studied Mg<sub>4</sub>O<sub>4</sub> and Sn<sub>4</sub>O<sub>4</sub> nanoclusters modifying the (101) surface of anatase TiO<sub>2</sub> using density functional theory corrected for on-site Coulomb interactions (DFT + U). Such studies typically focus on the pristine surface, free of the point defects and surface hydroxyls present in real surfaces. We have also examined the impact of partial hydroxylation of the anatase surface on a variety of outcomes such as nanocluster adsorption, light absorption, charge separation and reducibility. Our results indicate that the modifiers adsorb strongly at the surface, irrespective of the presence of hydroxyl groups, and that modification extends light absorption into the visible range while enhancing UV activity. Our model for the excited state of the heterostructures demonstrates that photoexcited electrons and holes are separated onto the TiO<sub>2</sub> surface and metal oxide nanocluster respectively. Comparisons with bare TiO<sub>2</sub> and other TiO<sub>2</sub>-based photocatalyst materials are presented throughout.<br>


2011 ◽  
Vol 103 (1) ◽  
pp. 81-88 ◽  
Author(s):  
Y. Suzuki ◽  
M. Yamamoto ◽  
T. Saito ◽  
T. Miyanaga ◽  
S. Ohwada ◽  
...  

Author(s):  
David Maria Tobaldi ◽  
Luc Lajaunie ◽  
ana caetano ◽  
nejc rozman ◽  
Maria Paula Seabra ◽  
...  

<div>Titanium dioxide is by far the most utilised semiconductor material for photocatalytic applications. Still, it is transparent to visible-light. Recently, it has been proved that a type-II band alignment for the rutile−anatase mixture would improve its visible-light absorption.</div><div>In this research paper we thoroughly characterised the real crystalline and amorphous phases of synthesised titanias – thermally treated at different temperatures to get distinct ratios of anatase-rutile-amorphous fraction – as well as that of three commercially available photocatalytic nano-TiO2. </div><div>The structural characterisation was done via advanced X-ray diffraction method, namely the Rietveld-RIR method, to attain a full quantitative phase analysis of the specimens. The microstructure was also investigated via an advanced X-ray method, the whole powder pattern modelling. These methods were validated combining advanced aberration-corrected scanning transmission microscopy and high-resolution electron energy-loss spectroscopy. The photocatalytic activity was assessed in the liquid- and gas-solid phase (employing rhodamine B and 4-chlorophenol, and isopropanol, respectively, as the organic substances to degrade) using a light source irradiating exclusively in the visible-range.</div><div>Optical spectroscopy showed that even a small fraction of rutile (2 wt%) is able to shift to lower energies the apparent optical band gap of an anatase-rutile mixed phase. But is this enough to attain a real photocatalytic activity promoted by merely visible-light?</div><div>We tried to give a reply to that question.</div><div>Photocatalytic activity results in the liquid-solid phase showed that a high surface hydroxylation led to specimen with superior visible light-induced catalytic activity (i.e. dye and ligand-to-metal charge transfer complexes sensitisation effects). That is: not photocatalysis <i>sensu-strictu</i>.</div><div>On the other hand, the gas-solid phase results showed that a higher amount of the rutile fraction (around 10 wt%), together with less recombination of the charge carriers, were more effective for an actual photocatalytic oxidation of isopropanol.</div>


2019 ◽  
Vol 2 (10) ◽  
pp. 7518-7526 ◽  
Author(s):  
Hanggara Sudrajat ◽  
Mitsunori Kitta ◽  
Nobuyuki Ichikuni ◽  
Hiroshi Onishi

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