2022 IEEE International Conference on Nanoelectronics, Nanophotonics, Nanomaterials, Nanobioscience & Nanotechnology (5NANO)最新文献

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Effect of Bridging on D-π-D Structures for Efficient Use in Organic Electronic Devices: DFT Investigation 桥接对D-π-D结构在有机电子器件中高效使用的影响:DFT研究

2022 IEEE International Conference on Nanoelectronics, Nanophotonics, Nanomaterials, Nanobioscience & Nanotechnology (5NANO) Pub Date : 2022-04-28 DOI: 10.1109/5nano53044.2022.9828921

Ankit Kargeti, T. Rasheed, S. A. Siddiqui

{"title":"Effect of Bridging on D-π-D Structures for Efficient Use in Organic Electronic Devices: DFT Investigation","authors":"Ankit Kargeti, T. Rasheed, S. A. Siddiqui","doi":"10.1109/5nano53044.2022.9828921","DOIUrl":"https://doi.org/10.1109/5nano53044.2022.9828921","url":null,"abstract":"Donor-π-Donor (D-π-D) type structures and the molecular structures based on effective conjugation have interesting optoelectronic properties. These structures are studied for their efficient hole mobility and designing of novel p-type semiconducting materials in the application of organic field effect transistors. These structures are also widely researched for their excellent hole transport properties and their effective use in perovskite solar cells as hole transport materials. Here, two novel molecules have been designed based on D-π-D structure. The effect of bridging units on electronic and optical properties of these compounds have been investigated. The two molecules are S1 (anthracene-thiophene-fluorene) and S2 (anthracene-thiophene-furan-fluorene). They are optimized under the framework of density functional theory (DFT) at B3LYP/cc-pVDZ theory level. In these compounds, anthracene and fluorene act as donors. Thiophene is the bridging molecule in S1, whereas, thiophene and furan are the bridging molecules in S2. The HOMO-LUMO gap energy of S2 is found to be smaller as compared to S1, which may be the result of extended conjugation length in the designed structure. Further, the charge density difference plots have been analyzed using TD-DFT calculations performed at CAM-B3LYP/cc-pVDZ level. The designed novel molecules are expected to be useful for organic optoelectronic applications.","PeriodicalId":152207,"journal":{"name":"2022 IEEE International Conference on Nanoelectronics, Nanophotonics, Nanomaterials, Nanobioscience & Nanotechnology (5NANO)","volume":"178 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132332951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Performance Evolution of GaAs-Based Solar Cell Towards >30% Efficiency for Space Applications 面向空间应用效率30%的gaas基太阳能电池性能演变

2022 IEEE International Conference on Nanoelectronics, Nanophotonics, Nanomaterials, Nanobioscience & Nanotechnology (5NANO) Pub Date : 2022-04-28 DOI: 10.1109/5nano53044.2022.9828955

Ajay Kumar, M. Thomas, Gulshan Pareek, Aditya Jain, N. Gupta

引用次数: 4

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