Manipulatable Interface Electric Field and Charge Transfer in a 2D/2D Heterojunction Photocatalyst via Oxygen Intercalation
- Title
- Manipulatable Interface Electric Field and Charge Transfer in a 2D/2D Heterojunction Photocatalyst via Oxygen Intercalation
- Author
- 정용재
- Keywords
- density functional theory; photocatalytic water splitting; graphitic carbon nitrides; platinum disulfides; 2D/2D heterostructure; intercalation
- Issue Date
- 2020-04
- Publisher
- MDPI
- Citation
- CATALYSTS, v. 10, no. 5, article no. 469
- Abstract
- Charge separation is the most important factor in determining the photocatalytic activity of a 2D/2D heterostructure. Despite the exclusive advantages of 2D/2D heterostructure semiconductor systems such as large surface/volume ratios, their use in photocatalysis is limited due to the low efficiency of charge separation and high recombination rates. As a remedy for the weak interlayer binding and low carrier transport efficiency in 2D/2D heterojunctioned semiconductors, we suggested an impurity intercalation method for the 2D/2D interface. PtS2/C3N4, as a prototype heterojunction material, was employed to investigate the effect of anion intercalation on the charge separation efficiency in a 2D/2D system using density functional theory. With oxygen intercalation at the PtS2/C(3)N(4)interface, a reversed and stronger localized dipole moment and a built-in electric field were induced in the vertical direction of the PtS2/C(3)N(4)interface. This theoretical work suggests that the anion intercalation method can be a way to control built-in electric fields and charge separation in designs of 2D/2D heterostructures that have high photocatalytic activity.
- URI
- https://www.mdpi.com/2073-4344/10/5/469https://repository.hanyang.ac.kr/handle/20.500.11754/165707
- ISSN
- 2073-4344
- DOI
- 10.3390/catal10050469
- Appears in Collections:
- COLLEGE OF ENGINEERING[S](공과대학) > MATERIALS SCIENCE AND ENGINEERING(신소재공학부) > Articles
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