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Kwak, Sang Kyu
Kyu’s MolSim Lab @ UNIST
Research Interests
  • Molecular modeling and simulation, statistical thermodynamics, molecular physics

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Effects of Cation Size and Concentration of Cationic Chloride on Properties of Formamidinium Lead Iodide Based Perovskite Solar Cells

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Title
Effects of Cation Size and Concentration of Cationic Chloride on Properties of Formamidinium Lead Iodide Based Perovskite Solar Cells
Author
Kim, MinjinLee, Tae KyungChoi, In WooChoi, Hye WonJo, YimhyunLee, JiyunKim, Gi-HwanKwak, Sang KyuKim, Dong Suk
Issue Date
2020-07
Publisher
ROYAL SOC CHEMISTRY
Citation
SUSTAINABLE ENERGY & FUELS, v.4, no.7, pp.3753 - 3763
Abstract
The effect of cationic chlorides has been studied to achieve high quality perovskite films, for high performance perovskite solar cells. However, the role of cationic chloride additives which form mixed-cations on the perovskite structure is still unclear. Investigating the crystal morphology and stability of perovskite films for various sizes or concentrations of cationic chlorides is an essential part of the optoelectronic perovskite study. This paper investigates how cationic chlorides GuCl, FACl, CsCl, RbCl, and KCl, with different cationic sizes and concentrations, affected FAPbI(3)perovskite. By forming mixed-cations by the addition of cationic chlorides with appropriate cation size and concentration, based on the tolerance factor, the crystallinity of the perovskite film was improved, achieving a lifetime 2.50 times longer, and a grain size 2.44 times larger. As a result, the efficiency of the perovskite solar cells is increased to 23.28%, and certified as 22.65% at Newport with optimized cationic chlorides. To understand the effect of the cation size and concentration of the cationic chlorides, theoretical analysis of the mechanism by which the cationic chlorides increased the crystallinity was performed using density functional theory calculations. The results revealed the effect of the various cationic chlorides on perovskite phase structures and matched the experimental results.
URI
https://scholarworks.unist.ac.kr/handle/201301/47396
URL
https://pubs.rsc.org/en/content/articlelanding/2020/SE/D0SE00382D#!divAbstract
DOI
10.1039/d0se00382d
ISSN
2398-4902
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