Dong Fan , Zhihao Wang , Maoye Yin , Hengshuai Li , Haiquan Hu , Feng Guo , Zhenbao Feng , Jun Li , Dong Zhang , Minghui Zhu , Zhi Li
{"title":"形成有机/无机材料异质结:有效提高载流子分离率和太阳能利用率","authors":"Dong Fan , Zhihao Wang , Maoye Yin , Hengshuai Li , Haiquan Hu , Feng Guo , Zhenbao Feng , Jun Li , Dong Zhang , Minghui Zhu , Zhi Li","doi":"10.1016/j.physb.2023.415486","DOIUrl":null,"url":null,"abstract":"<div><p>CdS is a kind of traditional inorganic semiconductor, but its photocatalytic performance is far from satisfactory. In order to improve the photocatalytic performance of CdS. We decided to use organic material C<sub>2</sub>N-<em>h</em>2D to form organic-inorganic heterojunction, CdS/C<sub>2</sub>N-<em>h</em>2D heterojunction, to improve the photocatalytic performance of CdS. First of all, the CdS, C<sub>2</sub>N-<em>h</em>2D and CdS/C<sub>2</sub>N-<em>h</em>2D heterojunction was studied by using the HSE06 hybrid functional method. The energy band and DOS of CdS/C<sub>2</sub>N-<em>h</em>2D heterojunction were calculated, and the band gap and band types of CdS/C<sub>2</sub>N-<em>h</em>2D heterojunction were determined. Next, the interaction between CdS and C<sub>2</sub>N-<em>h</em>2D is discussed. The results showed that the VBM and CBM of CdS and C<sub>2</sub>N-<em>h</em>2D changed with the forming of heterojunction. In addition, the light absorption spectra show that CdS/C<sub>2</sub>N-<em>h</em>2D heterojunction has a higher absorption efficiency for visible light. These results indicate that CdS/C<sub>2</sub>N-<em>h</em>2D heterojunction has a significant advantage in improving the photocatalytic efficiency under visible light irradiation.</p></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.8000,"publicationDate":"2023-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Forming of organic/inorganic material heterojunction: Effectively improve the carrier separation rate and solar energy utilization rate\",\"authors\":\"Dong Fan , Zhihao Wang , Maoye Yin , Hengshuai Li , Haiquan Hu , Feng Guo , Zhenbao Feng , Jun Li , Dong Zhang , Minghui Zhu , Zhi Li\",\"doi\":\"10.1016/j.physb.2023.415486\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>CdS is a kind of traditional inorganic semiconductor, but its photocatalytic performance is far from satisfactory. In order to improve the photocatalytic performance of CdS. We decided to use organic material C<sub>2</sub>N-<em>h</em>2D to form organic-inorganic heterojunction, CdS/C<sub>2</sub>N-<em>h</em>2D heterojunction, to improve the photocatalytic performance of CdS. First of all, the CdS, C<sub>2</sub>N-<em>h</em>2D and CdS/C<sub>2</sub>N-<em>h</em>2D heterojunction was studied by using the HSE06 hybrid functional method. The energy band and DOS of CdS/C<sub>2</sub>N-<em>h</em>2D heterojunction were calculated, and the band gap and band types of CdS/C<sub>2</sub>N-<em>h</em>2D heterojunction were determined. Next, the interaction between CdS and C<sub>2</sub>N-<em>h</em>2D is discussed. The results showed that the VBM and CBM of CdS and C<sub>2</sub>N-<em>h</em>2D changed with the forming of heterojunction. In addition, the light absorption spectra show that CdS/C<sub>2</sub>N-<em>h</em>2D heterojunction has a higher absorption efficiency for visible light. These results indicate that CdS/C<sub>2</sub>N-<em>h</em>2D heterojunction has a significant advantage in improving the photocatalytic efficiency under visible light irradiation.</p></div>\",\"PeriodicalId\":20116,\"journal\":{\"name\":\"Physica B-condensed Matter\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2023-11-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Physica B-condensed Matter\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0921452623008530\",\"RegionNum\":3,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"PHYSICS, CONDENSED MATTER\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physica B-condensed Matter","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0921452623008530","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
Forming of organic/inorganic material heterojunction: Effectively improve the carrier separation rate and solar energy utilization rate
CdS is a kind of traditional inorganic semiconductor, but its photocatalytic performance is far from satisfactory. In order to improve the photocatalytic performance of CdS. We decided to use organic material C2N-h2D to form organic-inorganic heterojunction, CdS/C2N-h2D heterojunction, to improve the photocatalytic performance of CdS. First of all, the CdS, C2N-h2D and CdS/C2N-h2D heterojunction was studied by using the HSE06 hybrid functional method. The energy band and DOS of CdS/C2N-h2D heterojunction were calculated, and the band gap and band types of CdS/C2N-h2D heterojunction were determined. Next, the interaction between CdS and C2N-h2D is discussed. The results showed that the VBM and CBM of CdS and C2N-h2D changed with the forming of heterojunction. In addition, the light absorption spectra show that CdS/C2N-h2D heterojunction has a higher absorption efficiency for visible light. These results indicate that CdS/C2N-h2D heterojunction has a significant advantage in improving the photocatalytic efficiency under visible light irradiation.
期刊介绍：
Physica B: Condensed Matter comprises all condensed matter and material physics that involve theoretical, computational and experimental work.
Papers should contain further developments and a proper discussion on the physics of experimental or theoretical results in one of the following areas:
-Magnetism
-Materials physics
-Nanostructures and nanomaterials
-Optics and optical materials
-Quantum materials
-Semiconductors
-Strongly correlated systems
-Superconductivity
-Surfaces and interfaces
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