Investigation of the Effect of Molecules Containing Sulfonamide Moiety Adsorbed on the FAPbI<sub>3</sub> Perovskite Surface: A First-Principles Study

Investigation of the Effect of Molecules Containing Sulfonamide Moiety Adsorbed on the FAPbI<sub>3</sub> Perovskite Surface: A First-Principles Study

First-principles calculations were conducted to examine the impact of three sulfonamide-containing molecules (H<sub>4</sub>N<sub>2</sub>O<sub>2</sub>S, CH<sub>8</sub>N<sub>4</sub>O<sub>3</sub>S, and C<sub>2</sub>H<...

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Bibliographic Details
Main Authors: Shiyan Yang, Yu Zhuang, Youbo Dou, Jianjun Wang, Hongwen Zhang, Wenjing Lu, Qiuli Zhang, Xihua Zhang, Yuan Wu, Xianfeng Jiang
Format: Article
Language:English
Published: MDPI AG 2025-06-01
Series:Molecules
Subjects:
FAPbI<sub>3</sub> perovskite
surface adsorption
optoelectronic properties
first-principles
Online Access:https://www.mdpi.com/1420-3049/30/11/2463
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