Manipulatable Interface Electric Field and Charge Transfer in a 2D/2D Heterojunction Photocatalyst via Oxygen Intercalation
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...
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MDPI AG
2020-04-01
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| Online Access: | https://www.mdpi.com/2073-4344/10/5/469 |
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| author | Minyeong Je Eun Seob Sim Jungwook Woo Heechae Choi Yong-Chae Chung |
| author_facet | Minyeong Je Eun Seob Sim Jungwook Woo Heechae Choi Yong-Chae Chung |
| author_sort | Minyeong Je |
| collection | DOAJ |
| description | 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. PtS<sub>2</sub>/C<sub>3</sub>N<sub>4</sub>, 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 PtS<sub>2</sub>/C<sub>3</sub>N<sub>4</sub> interface, a reversed and stronger localized dipole moment and a built-in electric field were induced in the vertical direction of the PtS<sub>2</sub>/C<sub>3</sub>N<sub>4</sub> 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. |
| first_indexed | 2024-03-10T20:13:52Z |
| format | Article |
| id | doaj.art-c8b5cd759c524b06ae11ff0023be5fde |
| institution | Directory Open Access Journal |
| issn | 2073-4344 |
| language | English |
| last_indexed | 2024-03-10T20:13:52Z |
| publishDate | 2020-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Catalysts |
| spelling | doaj.art-c8b5cd759c524b06ae11ff0023be5fde2023-11-19T22:43:15ZengMDPI AGCatalysts2073-43442020-04-0110546910.3390/catal10050469Manipulatable Interface Electric Field and Charge Transfer in a 2D/2D Heterojunction Photocatalyst via Oxygen IntercalationMinyeong Je0Eun Seob Sim1Jungwook Woo2Heechae Choi3Yong-Chae Chung4Theoretical Materials & Chemistry Group, Institute of Inorganic Chemistry, University of Cologne, Greinstr. 6, 50939 Cologne, GermanyDivision of Materials Science and Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763, KoreaDivision of Materials Science and Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763, KoreaTheoretical Materials & Chemistry Group, Institute of Inorganic Chemistry, University of Cologne, Greinstr. 6, 50939 Cologne, GermanyDivision of Materials Science and Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763, KoreaCharge 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. PtS<sub>2</sub>/C<sub>3</sub>N<sub>4</sub>, 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 PtS<sub>2</sub>/C<sub>3</sub>N<sub>4</sub> interface, a reversed and stronger localized dipole moment and a built-in electric field were induced in the vertical direction of the PtS<sub>2</sub>/C<sub>3</sub>N<sub>4</sub> 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.https://www.mdpi.com/2073-4344/10/5/469density functional theoryphotocatalytic water splittinggraphitic carbon nitridesplatinum disulfides2D/2D heterostructureintercalation |
| spellingShingle | Minyeong Je Eun Seob Sim Jungwook Woo Heechae Choi Yong-Chae Chung Manipulatable Interface Electric Field and Charge Transfer in a 2D/2D Heterojunction Photocatalyst via Oxygen Intercalation Catalysts density functional theory photocatalytic water splitting graphitic carbon nitrides platinum disulfides 2D/2D heterostructure intercalation |
| title | Manipulatable Interface Electric Field and Charge Transfer in a 2D/2D Heterojunction Photocatalyst via Oxygen Intercalation |
| title_full | Manipulatable Interface Electric Field and Charge Transfer in a 2D/2D Heterojunction Photocatalyst via Oxygen Intercalation |
| title_fullStr | Manipulatable Interface Electric Field and Charge Transfer in a 2D/2D Heterojunction Photocatalyst via Oxygen Intercalation |
| title_full_unstemmed | Manipulatable Interface Electric Field and Charge Transfer in a 2D/2D Heterojunction Photocatalyst via Oxygen Intercalation |
| title_short | Manipulatable Interface Electric Field and Charge Transfer in a 2D/2D Heterojunction Photocatalyst via Oxygen Intercalation |
| title_sort | manipulatable interface electric field and charge transfer in a 2d 2d heterojunction photocatalyst via oxygen intercalation |
| topic | density functional theory photocatalytic water splitting graphitic carbon nitrides platinum disulfides 2D/2D heterostructure intercalation |
| url | https://www.mdpi.com/2073-4344/10/5/469 |
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