Directed by diprotonated organic diamines containing both primary and tertiary ammonium groups, three layered iodoplumbate hybrids, {[H2DMPDA][PbI4]}n (1), {[H2DEPDA]4[Pb5I18]}n (2) and {[H2TMEDA][Pb3I8]}n (3) (DMPDA = N,N-dimethyl-1,3-propanediamine, DEPDA = N,N-diethyl-1,3-propanediamine, TMEDA = N,N,N',N'-tetramethylethylenediamine), have been synthesized solvothermally. 1 presents a layered...

The structural phase transition of gadolinium-scandium-gallium garnet (Gd(3)Sc(2)Ga(3)O(12), GSGG) has been studied at high pressure and high temperature using the synchrotron X-ray diffraction technique in a laser-heated diamond anvil cell. The GSGG garnet transformed to an orthorhombic perovskite structure at approximately 24 GPa after laser heating to 1500-2000 K. The garnet-to-perovskite ph...

Durability of organo-lead halide perovskite are important issue for its practical application in a solar cells. In this study, using density functional theory (DFT) and molecular dynamics, we theoretically investigated a crystal structure, electronic structure, and ionic diffusivity of the partially substituted cubic MA0.5X0.5PbI3 (MA = CH3NH3+, X = NH4+ or (NH2)2CH+ or Cs+). Our calculation re...

Using density functional simulations, within the generalized gradient approximation and projectoraugmented wave method, we study structures and energetics of CaSiO3 perovskite in the pressure range of the Earth’s lower mantle (0–150 GPa). At zero Kelvin temperature the cubic ðPm 3mÞ CaSiO3 perovskite structure is unstable in the whole pressure range, at low pressures the orthorhombic (Pnam) str...

The phase stability, oxygen stoichiometry and expansion properties of SrCo0.8Fe0.2O3−δ (SCF) were determined by in situ neutron diffraction between 873 and 1173 K and oxygen partial pressures of 5×10 to 1 atm. At a pO2 of 1 atm, SCF adopts a cubic perovskite structure, space group Pm3̄m, across the whole temperature range investigated. At a pO2 of 10 −1 atm, a two-phase region exists below 922 K...

Inorganic-organic hydride perovskites bring the hope for fabricating low-cost and large-scale solar cells. At the beginning of the research, two open questions were raised: the hysteresis effect and the role of chloride. The presence of chloride significantly improves the crystallization and charge transfer property of the perovskite. However, though the long held debate over of the existence o...

Using 3D imaging with time-of-flight secondary ion mass spectrometry (ToF-SIMS) complemented by grazing-incidence X-ray diffraction (GIXRD), we spatially resolve changes in both the composition and structure of CH3NH3I3-xClx perovskite films on conducting polymer substrates at different annealing stages, in particular, before and after complete perovskite crystallization. The early stage of ann...

Oxygen vacancies have been implicitly assumed isolated ones, and understanding oxide materials possibly containing oxygen vacancies remains elusive within the scheme of the isolated vacancies, although the oxygen vacancies have been playing a decisive role in oxide materials. Here, we report the presence of oxygen vacancy linear clusters and their orientation along a specific crystallographic d...

La1-xSrxCoO3-δ belongs to the group of perovskite oxides of the ABO3 structure, with a trivalent rare earth in the A position (La) and a trivalent metal ion in the B position (Co). Doping with divalent Srions at the trivalent La-positions creates oxygen vacancies which give the oxide catalytic properties to H2O2. However, the conventional techniques which are used to prepare this oxide such as ...

the perovskite-type oxides strontium-substituted lanthanum nickelate (lsno) were prepared by a coprecipitation method in the present of octanoic acid as surfactant. the phase composition, morphology,lattice parameters and size of nanoparticles in these materials were characterized through fourier transform infrared spectroscopy (ft-ir), x-ray diffraction (xrd), scanning electron microscopy (sem...