We present a mechanochemical procedure, with solvent-free, green-chemistry credentials, to grow all-inorganic CsPbBr₃ perovskite. The crystal structure of this perovskite and its correlations with the physicochemical properties have been studied. Synchrotron X-ray diffraction (SXRD) and neutron powder diffraction (NPD) allowed us to follow the crystallographic behavior from 4 to 773 K. Unreported features like the observed negative thermal expansion of the b unit-cell parameter stem from octahedral distortions in the 4–100 K temperature range. The mechanochemical synthesis was designed to reduce the impact energy during the milling process, leading to a defect-free, well-crystallized sample characterized by a minimum unit-cell volume and octahedral tilting angles in the low-temperature orthorhombic perovskite framework, defined in the Pbnm space group. The UV–vis diffuse reflectance spectrum shows a reduced band gap of 2.22(3) eV, and the photocurrent characterization in a photodetector reveals excellent properties with potential applications of this material in optoelectronic devices.

Novel mixed-metal Li _{3− x} Y _{1− x} Hf _x Cl ₆ has been subtly designed by doping engineering to achieve superionic halide conductors for all-solid-state lithium-metal based batteries.

Hybrid organic–inorganic perovskites, MAPbX ₃ (MA: CH ₃ –NH ₃ ⁺ ; X = halogen), prepared by ball milling are, by far, much more stable towards ambient conditions (air, humidity) than the conventional materials prepared from solution chemistry.

Among the hybrid organic–inorganic perovskites MAPbX₃ (MA: methyl-ammonium CH₃–NH₃⁺, X = halogen), the triiodide specimen (MAPbI₃) 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 MAPbI₃ perovskites synthesized by crystallization from organic solvents.