RT Journal Article T1 Enhanced stability in CH_3NH_3PbI_3 hybrid perovskite from mechano-chemical synthesis: structural, microstructural and optoelectronic characterization A1 López, Carlos A. A1 Abia, Carmen A1 Rodrigues, Joao E. A1 Serrano Sánchez, Federico A1 Nemes, Norbert Marcel A1 Martínez, José L. A1 Fernández Díaz, Maria T. A1 Biskup Zaja, Nevenko A1 Álvarez Galván, Consuelo A1 Carrascoso, Felix A1 Castellanos Gómez, Andres A1 Alonso, Jose A. AB Among the hybrid organic-inorganic perovskites MAPbX(3) (MA: methyl-ammonium CH3-NH3+, X=halogen), the triiodide specimen (MAPbI(3)) is still the material of choice for solar energy applications. Although it is able to absorb light above its 1.6 eV bandgap, its poor stability in humid air atmosphere has been a major drawback for its use in solar cells. However, we discovered that this perovskite can be prepared by ball milling in a straightforward way, yielding specimens with a superior stability. This fact allowed us to take atomic-resolution STEM images for the first time, with sufficient quality to unveil microscopic aspects of this material. We demonstrated full Iodine content, which might be related to the enhanced stability, in a more compact PbI6 framework with reduced unit-cell volume. A structural investigation from neutron powder diffraction (NPD) data of an undeuterated specimen was essential to determine the configuration of the organic MA unit in the 100-298 K temperature range. A phase transition is identified, from the tetragonal structure observed at RT (space group I4/mcm) to an orthorhombic (space group Pnma) phase where the methyl-ammonium organic units are fully localized. Our NPD data reveal that the MA changes are gradual and start before reaching the phase transition. Optoelectronic measurements yield a photocurrent peak at an illumination wavelength of 820 nm, which is redshifted by 30 nm with respect to previously reported measurements on MAPbI(3) perovskites synthesized by crystallization from organic solvents. PB Nature Portfolio YR 2020 FD 2020-07-08 LK https://hdl.handle.net/20.500.14352/91259 UL https://hdl.handle.net/20.500.14352/91259 LA eng NO C. A. López, C. Abia, J. E. Rodrigues, F. Serrano-Sánchez, N. M. Nemes, J. L. Martínez, M. T. Fernandez-Díaz, N. Biškup, C. Alvarez-Galván, F. Carrascoso, A. Castellanos-Gomez, and J. A. Alonso, Sci Rep 10, 11228 (2020). NO Ministerio de Economía, Comercio y Empresa (España) NO European Commission NO Agencia Nacional de Promoción de la Investigación, el Desarrollo Tecnológico y la Innovación (Argentina) NO Universidad Nacional de San Luis (Argentina) NO Ministerio de Ciencia, Innovación y Universidades (España) DS Docta Complutense RD 7 abr 2025