混合钙钛矿的材料数据:方法和潜在的用途

IF 14 2区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Rayan Chakraborty, Volker Blum
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引用次数: 0

摘要

在过去的十年里,杂化钙钛矿的研究已经发展到一个地步,文献中包含了大量的化学和物理信息。然而,许多重要的材料设计挑战仍有待研究人员解决。大量快速增长的混合钙钛矿材料数据的分散性对系统的发现工作构成了障碍,这可以通过材料属性数据库来解决,无论是通过高通量还是通过系统的、准确的人为策划的努力。这篇评论文章讨论了构建此类数据库的必要性、挑战和需求。鉴于使用机器学习(ML)和相关工具来解决具体问题,还强调了与不同材料属性和性能相关的信息的重要性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Curated materials data of hybrid perovskites: approaches and potential usage
Over the past decade, hybrid perovskite research has evolved to a point where the literature contains an enormous volume of chemical and physical information. However, many essential material design challenges remain open for researchers to address. The dispersed nature of the large, rapidly growing body of hybrid perovskite materials data poses a barrier to systematic discovery efforts, which can be solved by materials property databases, either by high-throughput or by systematic, accurate human-curated efforts. This opinioned review article discusses the necessity, challenges, and requirements of building such data libraries. In light of using machine learning (ML) and related tools to solve specific problems, the importance of information related to different material attributes and properties is also highlighted.
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来源期刊
Trends in Chemistry
Trends in Chemistry CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
28.00
自引率
0.60%
发文量
138
期刊介绍: Trends in Chemistry serves as a new global platform for discussing significant and transformative concepts across all areas of chemistry. It recognizes that breakthroughs in chemistry hold the key to addressing major global challenges. The journal offers readable, multidisciplinary articles, including reviews, opinions, and short pieces, designed to keep both students and leading scientists updated on pressing issues in the field. Covering analytical, inorganic, organic, physical, and theoretical chemistry, the journal highlights major themes such as biochemistry, catalysis, environmental chemistry, materials, medicine, polymers, and supramolecular chemistry. It also welcomes articles on chemical education, health and safety, policy and public relations, and ethics and law.
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