A5101671954- Advanced Photocatalysis Techniques
- TiO2 Photocatalysis and Solar Cells
- Copper-based nanomaterials and applications
- Quantum Dots Synthesis And Properties
- Electrocatalysts for Energy Conversion
- Catalytic Processes in Materials Science
- Chalcogenide Semiconductor Thin Films
- 2D Materials and Applications
- Semiconductor materials and devices
- Fuel Cells and Related Materials
- Gas Sensing Nanomaterials and Sensors
- Semiconductor materials and interfaces
- Catalysis and Oxidation Reactions
- Advanced Nanomaterials in Catalysis
- Silicon and Solar Cell Technologies
- Advancements in Battery Materials
- ZnO doping and properties
- Advanced battery technologies research
- Hybrid Renewable Energy Systems
- Perovskite Materials and Applications
- Pigment Synthesis and Properties
- Aluminum Alloys Composites Properties
- Advanced ceramic materials synthesis
- Catalysis and Hydrodesulfurization Studies
- nanoparticles nucleation surface interactions
Qingdao University
2022-2024
Affiliated Hospital of Qingdao University
2022
China University of Petroleum, East China
2015-2018
Beijing University of Chemical Technology
2011-2015
Northeastern University
2015
A simple and facile solid-state chemical reduction approach for a large-scale production of colored TiO 2 with good photocatalytic properties was developed.
The electronic properties of monolayer transition-metal dichalcogenide MX2 (M = Mo and W; X S Se) interfaced TiO2(110) composites were investigated by hybrid density functional theory. In the MX2/TiO2(110) composites, serves as an efficient photosensitizer, electron–hole pair can, therefore, be easily generated visible-light irradiation effectively separated electron injection from to TiO2. This mechanism is quite different one foreign elements doped TiO2, in which directly excited midgap...
Abstract We use hybrid density functional calculations to find that the monolayer silicane (SiH) and anatase TiO 2 (101) composite ( i.e. SiH/TiO heterojunction) is a promising -based photocatalyst under visible light. The band gap of heterojunction 2.082 eV, which an ideal material for visible-light photoexcitation electron-hole pairs. Furthermore, has favorable type-II alignment thus photoexcited electron can be injected conduction from silicane. Finally, proper interface charge...
An effective non-metal (N) and non-transition metal (Sb) passivated co-doping approach is proposed to improve the photoelectochemical performance of rutile TiO2 for water-splitting by using first-principles calculations. It found that band edges N + Sb co-doped match with redox potentials water, a narrow gap (2.0 eV) achieved enhanced visible light absorption. The compensated donor acceptor pairs could prevent recombination photo-generated electron-hole pairs. In addition, defect tend bind...
Understanding the band gap narrowing of anatase TiO2 induced by B–N codoping is attractive and significant for their potential applications in renewable energy converting sunlight to electricity or fuels. In this work, we use hybrid density functional calculations investigate electronic structures codoped further explore mechanism codoping. It found B-assisted N–O coupling effect (i.e., substitution Ti B O N, marked as (B[sub], N) codoping) more effective than compensation between...
We investigated the electronic structures of N-, F-, and I-doped anatase TiO2 to explore enhancement mechanism incident photon-to-current conversion efficiency (IPCE) in dye-sensitized solar cells (DSSCs) based on photoanodes. The hybrid density functional calculation results indicate that n-type F I doping is better than p-type N doping. incorporation dopant very favorable improve conductivity, open-circuit voltage, visible-light absorption TiO2. Moreover, can facilitate electron injection...
The wide band gap of titanium dioxide (TiO2) limits its photoactivity only in the ultraviolet-light region and greatly blocks application TiO2 solar energy. Finding a pure phase with around 2.0 eV is very important issue for energy applications. We use first-principles calculations to predict fluorite TiO2(111) surface formed on reconstructed high-energy rutile TiO2(011) surface. about 2.1 eV. propose that engineering surfaces common obtain at room conditions promising method preparation...
An electron-hole self-compensation effect is revealed and confirmed in nitrogen doped Magnéli phase TinO2n−1 (n = 7, 8, 9) by using hybrid density functional theory calculations. We found that the between free electrons holes induced p-type doping could not only prevent recombination of photo-generated pairs, but also lead to an effective bandgap reduction. This novel may provide a new approach for engineering metal suboxides.
ADVERTISEMENT RETURN TO ISSUEPREVAddition/CorrectionNEXTORIGINAL ARTICLEThis notice is a correctionCorrection to “Enhancement Mechanism of the Conversion Efficiency Dye-Sensitized Solar Cells Based on Nitrogen-, Fluorine-, and Iodine-Doped TiO2 Photoanodes”Mang Niu, Rong Cui, Hao Wu, Daojian Cheng*, Dapeng Cao*Cite this: J. Phys. Chem. C 2016, 120, 5, 3088Publication Date (Web):February 1, 2016Publication History Published online1 February 2016Published inissue 11...
The donor–acceptor codoping is an effective approach to tune the photoelectrochemical properties of TiO2. Here, we systematically investigate effects (I+N) on electronic structures and H2O splitting reactions anatase TiO2 by using density functional theory. It found that stable charge-compensated pair in not only can prevent recombination photogenerated electron–hole pairs but also effectively reduce band gap 2.251 eV forming intermediate within gap. edge alignment codoped desirable for...
Using the first-principles calculations, geometrical and electronic structures, including lattice constant, band structure density of state (DOS) B, Al, Ga, V, Cr Mn doped 3C-SiC are systematically calculated. Based on result, conductivity mechanism p-type SiC (B, Al Ga) is investigated. In addition, magnetic properties with 3d-transition metals (V, Mn) The results indicate that system exhibits more stable ferromagnetism from exchange splitting Cr-3d state.
Using density functional theory (DFT), we have investigated the structural and electronic properties of dye-sensitized solar cells (DSSCs) comprised I-doped anatase TiO2(101) surface sensitized with NKX-2554 dye. The calculation results indicate that cyanoacrylic acid anchoring group in has a strong binding to surface. dissociative bidentate bridging type was found be most favorable adsorption configuration. On other hand, incorporations I dopant can reduce band gap TiO2 photoanode improve...
Among various electrocatalysts, high-entropy alloys (HEAs) have gained significant attention for their unique properties and excellent catalytic activity in the hydrogen evolution reaction (HER). However, precise synthesis of HEA catalysts small sizes remains challenging, which limits further improvement performance. In this study, boron- nitrogen-doped porous carbon nanofibers (HE-BN/PCNF) with an