Seongyeon Hwang, Wooyeon Kim, Kyeounghak Kim, Min Jae Ko
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引用次数: 0
Abstract
Halide perovskites have the advantages of high light absorption, low cost, and high charge mobility for applications in next-generation solar cells. Understanding the energy levels of halide perovskites is crucial for optoelectronic applications. Recently, density functional theory (DFT) calculations have been widely used for calculating energy levels by considering the electronic structure of each component of this material. In this review, we discuss the origins of the changes in the energy levels in halide perovskites in relation to (1) structural changes, (2) atomic orbital levels, and (3) interatomic interactions based on the DFT calculations. Based on the findings of this review, we provide useful insights for the rational design of perovskite solar cells.
期刊介绍：
The Korean Journal of Chemical Engineering provides a global forum for the dissemination of research in chemical engineering. The Journal publishes significant research results obtained in the Asia-Pacific region, and simultaneously introduces recent technical progress made in other areas of the world to this region. Submitted research papers must be of potential industrial significance and specifically concerned with chemical engineering. The editors will give preference to papers having a clearly stated practical scope and applicability in the areas of chemical engineering, and to those where new theoretical concepts are supported by new experimental details. The Journal also regularly publishes featured reviews on emerging and industrially important subjects of chemical engineering as well as selected papers presented at international conferences on the subjects.
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