TiO2 as a Photocatalyst for Water Splitting-An Experimental and Theoretical Review

被引:186
作者
Eidsvag, Hakon [1 ]
Bentouba, Said [1 ]
Vajeeston, Ponniah [2 ]
Yohi, Shivatharsiny [3 ]
Velauthapillai, Dhayalan [1 ]
机构
[1] Western Norway Univ Appl Sci, Dept Comp Math & Phys, Inndalsveien 28,Box 5063, N-5009 Bergen, Norway
[2] Univ Oslo, Ctr Mat Sci & Nanotechnol, Dept Chem, Box 1033 Blindern, N-0315 Oslo, Norway
[3] Univ Jaffna, Fac Sci, Dept Chem, Ramanathan Rd, Jaffna 40000, Sri Lanka
关键词
TiO2; water-splitting; theoretical; experimental; DFT; INITIO MOLECULAR-DYNAMICS; DENSITY-FUNCTIONAL THEORY; SOLAR HYDROGEN-PRODUCTION; TOTAL-ENERGY CALCULATIONS; QUANTUM DOTS; ANATASE TIO2; DOPED TIO2; ULTRASOFT PSEUDOPOTENTIALS; NANOTUBES PHOTOANODE; ELECTRONIC-STRUCTURE;
D O I
10.3390/molecules26061687
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Hydrogen produced from water using photocatalysts driven by sunlight is a sustainable way to overcome the intermittency issues of solar power and provide a green alternative to fossil fuels. TiO2 has been used as a photocatalyst since the 1970s due to its low cost, earth abundance, and stability. There has been a wide range of research activities in order to enhance the use of TiO2 as a photocatalyst using dopants, modifying the surface, or depositing noble metals. However, the issues such as wide bandgap, high electron-hole recombination time, and a large overpotential for the hydrogen evolution reaction (HER) persist as a challenge. Here, we review state-of-the-art experimental and theoretical research on TiO2 based photocatalysts and identify challenges that have to be focused on to drive the field further. We conclude with a discussion of four challenges for TiO2 photocatalysts-non-standardized presentation of results, bandgap in the ultraviolet (UV) region, lack of collaboration between experimental and theoretical work, and lack of large/small scale production facilities. We also highlight the importance of combining computational modeling with experimental work to make further advances in this exciting field.
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页数:30
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