Document Details

Document Type : Article In Journal 
Document Title :
A new understanding of the photocatalytic mechanism of the direct Z-scheme g-C3N4/TiO2 heterostructure
A new understanding of the photocatalytic mechanism of the direct Z-scheme g-C3N4/TiO2 heterostructure
 
Subject : physics 
Document Language : English 
Abstract : Constructing a TiO2 based heterostructure is a very effective strategy for enhancing photocatalytic performance. The details of the electronic structure, interfacial interaction, and photogenerated carrier separation are important for explaining the photocatalytic properties of a heterostructure. Herein, the density of states, charge distribution, and the band offset of the monolayer g-C3N4/TiO2 heterojunction are systematically investigated through the hybrid DFT method. Results indicated that the valence band offset and the conduction band offset of the g-C3N4/TiO2 heterostructure were 0.40 and 0.18 eV, respectively. Interfacial interaction made the TiO2 surface with negative charge, whereas the g-C3N4 surface with positive charge, which led to the formation of a built-in electric field at the interface. Under illumination, the built-in electric field accelerates the transfer of photoexcited electrons in the CB of TiO2 into the VB of g-C3N4, thus resulting in the photoexcited electrons and holes naturally accumulating in the CB of g-C3N4 and the VB of TiO2, respectively. The photoexcited electrons and holes gathering in different surface regions efficiently prolonged the lifetime of photogenerated carriers. Meanwhile, electrons in the CB of g-C3N4 and holes in the VB of TiO2 had a stronger redox ability. Therefore, g- C3N4/TiO2 is a direct Z-scheme photocatalyst, and the Z-scheme heterostructure mechanism can well explain the improved photocatalytic activity of the g-C3N4/TiO2 heterostructure 
ISSN : 1463-9076 
Journal Name : PHYSICAL CHEMISTRY CHEMICAL PHYSICS 
Volume : 18 
Issue Number : 45 
Publishing Year : 1437 AH
2016 AD
 
Article Type : Article 
Added Date : Monday, August 14, 2017 

Researchers

Researcher Name (Arabic)Researcher Name (English)Researcher TypeDr GradeEmail
J.J LiuLiu, J.J InvestigatorDoctoratejiaguoyu@yahoo.com
b ChengCheng, b ResearcherDoctorate 
J YuYu, J ResearcherDoctorate 

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