{"title":"Combining component screening, machine learning and molecular engineering for the design of high-performance inverted perovskite solar cells","authors":"Boxue Zhang, Huaibiao Zeng, Haomiao Yin, Daming Zheng, Zhongquan Wan, Chunyang Jia, Thijs Stuyver, Junsheng Luo, Thierry Pauporté","doi":"10.1039/d4ee00635f","DOIUrl":null,"url":null,"abstract":"Achieving high-performance inverted perovskite solar cells (PSCs) still remains a significant challenge, necessitating innovative approaches in materials selection and manufacturing technique optimization of perovskites. In this work, we unveil a paradigm shift in PSCs optimization. Through a judicious selection from a repertoire of 60 perovskite variants, we identified a composition with exemplary optical, thermal and electrical stability. Employing Bayesian machine learning, we navigated a labyrinth of over 1 billion process conditions, culminating in a record-breaking efficiency within a mere 80 iterations. Finally, the integration of bespoke <em>in situ</em> polymerized ionic molecules allowed us to further augment performance of inverted PSCs, reaching an unparalleled power conversion efficiency of 25.76% (certified at 25.21%). The PSCs retained 94% of the initial efficiency after continuous operation in a nitrogen atmosphere at 65 °C for 1920 hours. This work not only redefines the benchmarks for PSCs but also illuminates the path forward for photovoltaic innovations.","PeriodicalId":72,"journal":{"name":"Energy & Environmental Science","volume":null,"pages":null},"PeriodicalIF":32.4000,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Energy & Environmental Science","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1039/d4ee00635f","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Achieving high-performance inverted perovskite solar cells (PSCs) still remains a significant challenge, necessitating innovative approaches in materials selection and manufacturing technique optimization of perovskites. In this work, we unveil a paradigm shift in PSCs optimization. Through a judicious selection from a repertoire of 60 perovskite variants, we identified a composition with exemplary optical, thermal and electrical stability. Employing Bayesian machine learning, we navigated a labyrinth of over 1 billion process conditions, culminating in a record-breaking efficiency within a mere 80 iterations. Finally, the integration of bespoke in situ polymerized ionic molecules allowed us to further augment performance of inverted PSCs, reaching an unparalleled power conversion efficiency of 25.76% (certified at 25.21%). The PSCs retained 94% of the initial efficiency after continuous operation in a nitrogen atmosphere at 65 °C for 1920 hours. This work not only redefines the benchmarks for PSCs but also illuminates the path forward for photovoltaic innovations.
期刊介绍:
Energy & Environmental Science, a peer-reviewed scientific journal, publishes original research and review articles covering interdisciplinary topics in the (bio)chemical and (bio)physical sciences, as well as chemical engineering disciplines. Published monthly by the Royal Society of Chemistry (RSC), a not-for-profit publisher, Energy & Environmental Science is recognized as a leading journal. It boasts an impressive impact factor of 8.500 as of 2009, ranking 8th among 140 journals in the category "Chemistry, Multidisciplinary," second among 71 journals in "Energy & Fuels," second among 128 journals in "Engineering, Chemical," and first among 181 scientific journals in "Environmental Sciences."
Energy & Environmental Science publishes various types of articles, including Research Papers (original scientific work), Review Articles, Perspectives, and Minireviews (feature review-type articles of broad interest), Communications (original scientific work of an urgent nature), Opinions (personal, often speculative viewpoints or hypotheses on current topics), and Analysis Articles (in-depth examination of energy-related issues).