Activation Energy of Organic Cation Rotation in CH3NH3PbI3 and CD3NH3Pb3: Quasi-Elastic Neutron Scattering Measurements and First-Principles Analysis Including Nuclear Quantum Effects

Jingrui Li (1) , Mathilde Bouchard (2) , Peter Reiss (2) , Dmitry Aldakov (2) , Stephanie Pouget (3) , Renaud Demadrille (2) , Cyril Aumaitre (2) , Bernhard Frick (4) , David Djurado (2) , Mariana Rossi (5) , Patrick Rinke (1)

1 Aalto University School of Science - Department of Applied Physics and COMP CoE
2 STEP - Synthèse, Structure et Propriétés de Matériaux Fonctionnels
3 SGX - Service Général des Rayons X
4 ILL - Institut Laue-Langevin
5 FHI - Fritz-Haber-Institut der Max-Planck-Gesellschaft

Domaines: Science des matériaux [cond-mat.mtrl-sci]; Matériaux; Chimie inorganique; Autre

Jingrui Li, Mathilde Bouchard, Peter Reiss, Dmitry Aldakov, Stephanie Pouget, et al.. Activation Energy of Organic Cation Rotation in CH3NH3PbI3 and CD3NH3Pb3: Quasi-Elastic Neutron Scattering Measurements and First-Principles Analysis Including Nuclear Quantum Effects. Journal of Physical Chemistry Letters, 2018, 9 (14), pp.3969-3977. ⟨10.1021/acs.jpclett.8b01321⟩. ⟨hal-01975196⟩