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Cation Dynamics and...
Cation Dynamics and Structural Stabilization in Formamidinium Lead Iodide Perovskites
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- Drużbicki, Kacper (författare)
- Polish Academy of Sciences,Universidad del Pais Vasco / Euskal Herriko Unibertsitatea,University of the Basque Country (UPV/EHU)
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- Lavén, Rasmus, 1994 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Armstrong, Jeff (författare)
- STFC Rutherford Appleton Laboratory
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- Malavasi, Lorenzo (författare)
- Universita degli studi di Pavia
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- Fernandez-Alonso, F. (författare)
- Universidad del Pais Vasco / Euskal Herriko Unibertsitatea,University of the Basque Country (UPV/EHU),University College London (UCL),Donostia International Physics Center,Basque Foundation for Science (Ikerbasque)
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- Karlsson, Maths, 1978 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
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(creator_code:org_t)
- 2021-04-01
- 2021
- Engelska.
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Ingår i: Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 12:14, s. 3503-3508
- Relaterad länk:
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https://doi.org/10.1...
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https://research.cha...
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Abstract
Ämnesord
Stäng
- The vibrational dynamics of pure and methylammonium-doped formamidinium lead iodide perovskites (FAPbI3) has been investigated by high-resolution neutron spectroscopy. For the first time, we provide an exhaustive and accurate analysis of the cation vibrations and underlying local structure around the organic moiety in these materials using first-principles electronic-structure calculations validated by the neutron data. Inelastic neutron scattering experiments on FAPbI3 provide direct evidence of the formation of a low-temperature orientational glass, unveiling the physicochemical origin of phase metastability in the tetragonal structure. Further analysis of these data provides a suitable starting point to explore and understand the stabilization of the perovskite framework via doping with small amounts of organic cations. In particular, we find that the hydrogen-bonding interactions around the formamidinium cations are strengthened as a result of cage deformation. This synergistic effect across perovskite cages is accompanied by a concomitant weakening of the methylammonium interactions with the surrounding framework.
Ämnesord
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
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