{"title":"探索基于茚并二噻吩的空穴传输材料的合成、表征和计算方法,以提高过氧化物太阳能电池的应用水平","authors":"Afzal Siddiqui , Suman , Sheik Haseena , Kamatham Narayanaswamy , Mahesh Kumar Ravva , Surya Prakash Singh","doi":"10.1016/j.solener.2024.112732","DOIUrl":null,"url":null,"abstract":"<div><p>Utilizing hole-transporting materials (HTMs) to extract and transport holes from perovskite materials to the electrode remains essential in most perovskite solar cell (PSC) architectures. Developing cost-effective and efficient HTMs is essential for advancing PSC technology. We have synthesized a novel HTM, TPA-IDT-TPA, which has an extended fused ring as the core moiety called indacenodithiophene (IDT) and p-methoxy triphenylamine (p-mTPA) as terminal groups. TPA-IDT-TPA exhibits appropriate frontier molecular orbital (FMO) energy levels that match perovskite materials. Density functional theory (DFT) simulations were performed to comprehend the electronic, excited-state, and charge transport properties. The DFT results indicate that the extended π-conjugation, rigidity, and the central core ring of the HTM enhanced the π-π stacking, contributing to efficient charge transport. The PSC constructed with TPA-IDT-TPA achieves a device efficiency of 8.34%, with high values of <em>J<sub>SC</sub></em> and <em>V<sub>OC</sub></em>, which can be further enhanced through molecular optimization.</p></div>","PeriodicalId":428,"journal":{"name":"Solar Energy","volume":null,"pages":null},"PeriodicalIF":6.0000,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Exploring synthesis, characterization, and computational insights into indacenodithiophene-based hole transporting materials for enhanced perovskite solar cell applications\",\"authors\":\"Afzal Siddiqui , Suman , Sheik Haseena , Kamatham Narayanaswamy , Mahesh Kumar Ravva , Surya Prakash Singh\",\"doi\":\"10.1016/j.solener.2024.112732\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Utilizing hole-transporting materials (HTMs) to extract and transport holes from perovskite materials to the electrode remains essential in most perovskite solar cell (PSC) architectures. Developing cost-effective and efficient HTMs is essential for advancing PSC technology. We have synthesized a novel HTM, TPA-IDT-TPA, which has an extended fused ring as the core moiety called indacenodithiophene (IDT) and p-methoxy triphenylamine (p-mTPA) as terminal groups. TPA-IDT-TPA exhibits appropriate frontier molecular orbital (FMO) energy levels that match perovskite materials. Density functional theory (DFT) simulations were performed to comprehend the electronic, excited-state, and charge transport properties. The DFT results indicate that the extended π-conjugation, rigidity, and the central core ring of the HTM enhanced the π-π stacking, contributing to efficient charge transport. The PSC constructed with TPA-IDT-TPA achieves a device efficiency of 8.34%, with high values of <em>J<sub>SC</sub></em> and <em>V<sub>OC</sub></em>, which can be further enhanced through molecular optimization.</p></div>\",\"PeriodicalId\":428,\"journal\":{\"name\":\"Solar Energy\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":6.0000,\"publicationDate\":\"2024-06-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Solar Energy\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0038092X24004274\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"ENERGY & FUELS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Solar Energy","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0038092X24004274","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENERGY & FUELS","Score":null,"Total":0}
Exploring synthesis, characterization, and computational insights into indacenodithiophene-based hole transporting materials for enhanced perovskite solar cell applications
Utilizing hole-transporting materials (HTMs) to extract and transport holes from perovskite materials to the electrode remains essential in most perovskite solar cell (PSC) architectures. Developing cost-effective and efficient HTMs is essential for advancing PSC technology. We have synthesized a novel HTM, TPA-IDT-TPA, which has an extended fused ring as the core moiety called indacenodithiophene (IDT) and p-methoxy triphenylamine (p-mTPA) as terminal groups. TPA-IDT-TPA exhibits appropriate frontier molecular orbital (FMO) energy levels that match perovskite materials. Density functional theory (DFT) simulations were performed to comprehend the electronic, excited-state, and charge transport properties. The DFT results indicate that the extended π-conjugation, rigidity, and the central core ring of the HTM enhanced the π-π stacking, contributing to efficient charge transport. The PSC constructed with TPA-IDT-TPA achieves a device efficiency of 8.34%, with high values of JSC and VOC, which can be further enhanced through molecular optimization.
期刊介绍:
Solar Energy welcomes manuscripts presenting information not previously published in journals on any aspect of solar energy research, development, application, measurement or policy. The term "solar energy" in this context includes the indirect uses such as wind energy and biomass