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Published on: February 27, 2017
Improving the stability of hybrid perovskite FAPbI3 by forming 3D/2D interfaces with organic spacers
Yun-Sim Kim1, Chol-Hyok Ri1, Yun-Hyok Kye1
1Chair of Computational Materials Design (CMD), Faculty of Materials Science, Kim Il Sung University, Pyongyang, PO Box 76, Democratic People's Republic of Korea. cj.yu@ryongnamsan.edu.kp.
Abstract:
Interfaces composed of three-dimensional (3D) and 2D organic-inorganic hybrid formamidinium lead iodide (FAPbI3) linked by organic spacers (OSs) are studied using first-principles calculations. The OS cations with aromatic rings, like phenylethylammonium and anilinium (AN), are found to be more favourable for enhancing the stability of the 3D/2D interface than butylammonium with aliphatic chains. The AN-based interface shows the highest resistance to penetration of water molecules.
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