Published October 8, 2019
| Version v1
Journal article
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Atomic-Level Microstructure of Efficient Formamidinium-Based Perovskite Solar Cells Stabilized by 5‐Ammonium Valeric Acid Iodide Revealed by Multinuclear and Two-Dimensional Solid-State NMR
Authors/Creators
- Alanazi, Anwar Q.1
- Kubicki J., Dominik1
- Prochowicz, Daniel1
- Alharbi, Essa A.1
- Bouduban, Marine E. F.1
- Jahanbakhshi, Farzaneh1
- Mladenović, Marko1
- Milić, Jovana V.1
- Giordano, Fabrizio1
- Ren, Dan1
- Alyaman, Ahmed Y.2
- Albrithen, Hamad2
- Albadri, Abdulrahman2
- Alotaibi, Mohammad Hayal2
- Moser, Jacques-E.1
- Zakeeruddin, Shaik M.1
- Rothlisberger, Ursula1
- Emsley, Lyndon1
- Grätzel, Michael1
- 1. Ecole Polytechnique Fédérale de Lausanne
- 2. National Center for Nanotechnology, King Abdulaziz City for Science and Technology
Description
- PBEsol-optimized structures of AVA2FAn–1PbnI3n+1, n = 1, 2, and 3
- PBEsol-optimized structure of alpha-FAPbI3
- Thermal distributions at T = 300 K from 6 ps first-principles MD simulations corresponding to Fig. 6
- Histogram of intermolecular O···H bond distances between COOH groups of adjacent spacers of opposite layers
- Distribution of vertical penetration distances of NH3+ into the inorganic slab
- Distribution of polar, θ, and azimuthal, φ, angles of AVA in the spacer layers.