| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Kieslich, Gregor
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (9/9 displayed)
- 2023Li(C2N3) as eutectic forming modifier in the melting process of the molecular perovskite [(C3H7)3N(C4H9)]Mn(C2N3)3±citations
- 2023Tuning the mechanical properties of dicyanamide-based molecular perovskitescitations
- 2022Expanding the hydride chemistry: antiperovskites A3MO4H (A = Rb, Cs; M = Mo, W) introducing the transition oxometalate hydridescitations
- 2022Designing Geometric Degrees of Freedom in ReO$_3$ ‐Type Coordination Polymerscitations
- 2021Influence of Metal Defects on the Mechanical Properties of ABX(3) Perovskite-Type Metal-formate Frameworkscitations
- 2021Tilt and shift polymorphism in molecular perovskitescitations
- 2018High electrical conductivity and high porosity in a Guest@MOF material : Evidence of TCNQ ordering within Cu3BTC2 microporescitations
- 2018Tuning the Mechanical Response of Metal−Organic Frameworks by Defect Engineeringcitations
- 2018Hydrogen Bonding versus Entropycitations
Places of action
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article
Hydrogen Bonding versus Entropy
Abstract
The enormous research efforts dedicated to hybrid organic–inorganic perovskites have led to a deep understanding of these materials; however, the role of entropy and its ramifications for the properties of the materials have been only sparsely explored. In this study, we quantify the phase transition mechanism in the hybrid organic–inorganic perovskite [CH3NH3]PbBr3 by studying low-energy collective phonon modes using a combination of inelastic neutron scattering and ab initio lattice dynamics. We demonstrate that a delicate interplay among hydrogen bonding interactions, lattice vibrational entropy, and configurational disorder determines the thermodynamics and results in the rich phase evolution of [CH3NH3]PbBr3 as a function of temperature. Our results have important implications for the manipulation of macroscopic properties and provide a blueprint for future studies that will focus on unravelling phase transition mechanisms in hybrid perovskites and related materials such as dense and porous coordination polymers.