Vectorial doping-promoting charge transfer in anatase TiO2 {001} surface

Zhou, Peng; Wu, Jionghua; Yu, Weilai; Zhao, Guanghui; Fang, Guojia; Cao, Shaowen

doi:10.1016/j.apsusc.2014.05.045

Cited by 57 publications

(21 citation statements)

References 32 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Meanwhile, holes and electrons can also recombine and dissipate heat in the pathway of transport to surface, which produces negative effect on photocatalysis [33,34]. Photocatalytic activities are closely related to their microscopic crystal and electronic structures [35]. In addition, the positions of CB bottom and VB top determine the reduction and oxidation abilities of photogenerated electrons and holes, respectively.…”

Section: Introductionmentioning

confidence: 99%

Illustration of high-active Ag2CrO4 photocatalyst from the first-principle calculation of electronic structures and carrier effective mass

Zhang

Liu

et al. 2015

Applied Surface Science

Self Cite

View full text Add to dashboard Cite

Section: Introductionmentioning

confidence: 99%

Illustration of high-active Ag2CrO4 photocatalyst from the first-principle calculation of electronic structures and carrier effective mass

Zhang

Liu

et al. 2015

Applied Surface Science

Self Cite

View full text Add to dashboard Cite

“…However, the chemistry of photocatalytic reduction of CO 2 is generally regarded as a complex reaction, involving the multi-electron transfer process and a diversity of intermediates and products, including methane (CH 4 ), methanol (CH 3 OH), formaldehyde (HCHO), formic acid (HCOOH) and oxygen (O 2 ). 24,25 In this regard, fabricating new photocatalytic system with better sunlight utilization and higher solar-to-fuels conversion efficiency currently lies in the research focus of this area. During the past decades, a vast majority of research efforts have been devoted to developing TiO 2 -based photocatalysts that only exhibit moderate photocatalytic activity for CO 2 reduction under ultraviolet (UV) light irradiation.…”

Section: Introductionmentioning

confidence: 99%

Enhanced photocatalytic activity of g-C₃N₄ for selective CO₂ reduction to CH₃OH via facile coupling of ZnO: a direct Z-scheme mechanism

2015

Self Cite

View full text Add to dashboard Cite

Photocatalytic CO 2 reduction into renewable hydrocarbon solar fuels is considered as a promising strategy to simultaneously address the global energy and environmental issues. In this study, a binary g-C 3 N 4 /ZnO photocatalytic system was constructed via a one-step facile calcination method and further used as photocatalysts for CO 2 reduction. It was shown that the as-prepared g-C 3 N 4 /ZnO photocatalytic system exhibited enhanced photocatalytic activity for CO 2 reduction by a factor of 2.3 compared with the pure g-C 3 N 4 , while maintaining the original selectivity of pure g-C 3 N 4 to convert CO 2 directly into CH 3 OH. For the first time, the coupling effect of ZnO responsible for the improved photoactivity of g-C 3 N 4 was fully illustrated and a direct Z-scheme mechanism rather than the conventional heterojunction-type mechanism was proposed to explain the better performances of g-C 3 N 4 /ZnO binary composite photocatalytic system. The enhancement of photocatalytic CO 2 reduction activity is attributed to the highly efficient ZnO-to-g-C 3 N 4 electron transfer occurring at the intimate contact interface between g-C 3 N 4 phase and ZnO phase. This work will provide new deep insights into the rational construction of g-C 3 N 4 -based photocatalytic system and the design of direct Z-scheme system without an electron mediator for photocatalytic CO 2 reduction reactions.Please do not adjust margins confirming the existence of the interfacial contact proposed above. The denoted lattice fringes with d spacing of 0.26 nm can be assigned to the (002) crystal plane of hexagonal wurtzite ZnO. 46 TOC Direct Z-scheme g-C 3 N 4 /ZnO binary composite photocatalytic system was constructed and exhibited enhanced photocatalytic CO 2 reduction activity than g-C 3 N 4 or ZnO.

show abstract

“…Zhou et al [18] further investigated the C-F co-doped anatase TiO 2 (001) surfaces, and found that photocatalytic activity of TiO 2 can be enhanced dramatically. In addition, Oh et al [19] reported that doping TiO 2 with a small amount of Si could improve its photocatalytic activity.…”

Section: Introductionmentioning

confidence: 99%

First-principles study of atomic structure and electronic properties of Si and F doped anatase TiO₂

Chen

Liu

et al. 2015

Materials Science-Poland

View full text Add to dashboard Cite

Chemical doping represents one of the most effective ways in engineering electronic structures of anatase TiO 2 for practical applications. Here, we investigate formation energies, geometrical structures, and electronic properties of Si-, F-doped and Si/F co-doped anatase TiO 2 by using spin-polarized density functional theory calculation. We find that the co-doped TiO 2 is thermodynamically more favorable than the Si-and F-doped TiO 2 . Structural analysis shows that atomic impurity varies crystal constants slightly. Moreover, all the three doped systems show a pronounced narrowing of band gap by 0.33 eV for the F-doped TiO 2 , 0.17 eV for the Si-doped TiO 2 , and 0.28 eV for the Si/F-co-doped TiO 2 , which could account for the experimentally observed redshift of optical absorption edge. Our calculations suggest that the Si/F-co-doping represents an effective way in tailoring electronic structure and optical properties of anatase TiO 2 .

show abstract

Vectorial doping-promoting charge transfer in anatase TiO2 {001} surface

Cited by 57 publications

References 32 publications

Illustration of high-active Ag2CrO4 photocatalyst from the first-principle calculation of electronic structures and carrier effective mass

Illustration of high-active Ag2CrO4 photocatalyst from the first-principle calculation of electronic structures and carrier effective mass

Enhanced photocatalytic activity of g-C₃N₄ for selective CO₂ reduction to CH₃OH via facile coupling of ZnO: a direct Z-scheme mechanism

First-principles study of atomic structure and electronic properties of Si and F doped anatase TiO₂

Contact Info

Product

Resources

About

Vectorial doping-promoting charge transfer in anatase TiO2 {001} surface

Cited by 57 publications

References 32 publications

Illustration of high-active Ag2CrO4 photocatalyst from the first-principle calculation of electronic structures and carrier effective mass

Illustration of high-active Ag2CrO4 photocatalyst from the first-principle calculation of electronic structures and carrier effective mass

Enhanced photocatalytic activity of g-C3N4 for selective CO2 reduction to CH3OH via facile coupling of ZnO: a direct Z-scheme mechanism

First-principles study of atomic structure and electronic properties of Si and F doped anatase TiO2

Contact Info

Product

Resources

About

Enhanced photocatalytic activity of g-C₃N₄ for selective CO₂ reduction to CH₃OH via facile coupling of ZnO: a direct Z-scheme mechanism

First-principles study of atomic structure and electronic properties of Si and F doped anatase TiO₂