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Phase Transition, Dielectric Properties, and Ionic Transport in the [(CH3)2NH2]PbI3 Organic-Inorganic Hybrid with 2H-Hexagonal Perovskite Structure.
García-Fernández, A; Bermúdez-García, J M; Castro-García, S; Llamas-Saiz, A L; Artiaga, R; López-Beceiro, J; Hu, S; Ren, W; Stroppa, A; Sánchez-Andújar, M; Señarís-Rodríguez, M A.
Afiliación
  • García-Fernández A; QuiMolMat Group, Department of Fundamental Chemistry, Faculty of Science and CICA, University of A Coruña , Campus A Coruña, 15071 A Coruña, Spain.
  • Bermúdez-García JM; QuiMolMat Group, Department of Fundamental Chemistry, Faculty of Science and CICA, University of A Coruña , Campus A Coruña, 15071 A Coruña, Spain.
  • Castro-García S; QuiMolMat Group, Department of Fundamental Chemistry, Faculty of Science and CICA, University of A Coruña , Campus A Coruña, 15071 A Coruña, Spain.
  • Llamas-Saiz AL; RIAIDT X-ray Unit, University of Santiago de Compostela , 15782 Santiago de Compostela, Spain.
  • Artiaga R; Department of Industrial Engineering II, University of A Coruña , Campus Ferrol, 15403 Ferrol, Spain.
  • López-Beceiro J; Department of Industrial Engineering II, University of A Coruña , Campus Ferrol, 15403 Ferrol, Spain.
  • Hu S; International Centre for Quantum and Molecular Structures, Physics Department, Shanghai University , Shanghai 200444, China.
  • Ren W; Materials Genome Institute and Shanghai Key Laboratory of High Temperature Superconductors, Shanghai University , Shanghai 200444, China.
  • Stroppa A; International Centre for Quantum and Molecular Structures, Physics Department, Shanghai University , Shanghai 200444, China.
  • Sánchez-Andújar M; Materials Genome Institute and Shanghai Key Laboratory of High Temperature Superconductors, Shanghai University , Shanghai 200444, China.
  • Señarís-Rodríguez MA; International Centre for Quantum and Molecular Structures, Physics Department, Shanghai University , Shanghai 200444, China.
Inorg Chem ; 56(9): 4918-4927, 2017 May 01.
Article en En | MEDLINE | ID: mdl-28375611
In this work, we focus on [(CH3)2NH2]PbI3, a member of the [AmineH]PbI3 series of hybrid organic-inorganic compounds, reporting a very easy mechanosynthesis route for its preparation at room temperature. We report that this [(CH3)2NH2]PbI3 compound with 2H-perovskite structure experiences a first-order transition at ≈250 K from hexagonal symmetry P63/mmc (HT phase) to monoclinic symmetry P21/c (LT phase), which involves two cooperative processes: an off-center shift of the Pb2+ cations and an order-disorder process of the N atoms of the DMA cations. Very interestingly, this compound shows a dielectric anomaly associated with the structural phase transition. Additionally, this compound displays very large values of the dielectric constant at room temperature because of the appearance of a certain conductivity and the activation of extrinsic contributions, as demonstrated by impedance spectroscopy. The large optical band gap displayed by this material (Eg = 2.59 eV) rules out the possibility that the observed conductivity can be electronic and points to ionic conductivity, as confirmed by density functional theory calculations that indicate that the lowest activation energy of 0.68 eV corresponds to the iodine anions, and suggests the most favorable diffusion paths for these anions. The obtained results thus indicate that [(CH3)2NH2]PbI3 is an electronic insulator and an ionic conductor, where the electronic conductivity is disfavored because of the low dimensionality of the [(CH3)2NH2]PbI3 structure.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Inorg Chem Año: 2017 Tipo del documento: Article País de afiliación: España Pais de publicación: Estados Unidos
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Inorg Chem Año: 2017 Tipo del documento: Article País de afiliación: España Pais de publicación: Estados Unidos