Role of the Iodide-Methylammonium Interaction in the Ferroelectricity of CH3 NH3 PbI3.

Excellent conversion efficiencies of over 20 % and facile cell production have placed hybrid perovskites at the forefront of novel solar cell materials, with CH3 NH3 PbI3 being an archetypal compound. The question why CH3 NH3 PbI3 has such extraordinary characteristics, particularly a very efficient power conversion from absorbed light to electrical power, is hotly debated, with ferroelectricity being a promising candidate. This does, however, require the crystal structure to be non-centrosymmetric and we herein present crystallographic evidence as to how the symmetry breaking occurs on a crystallographic and, therefore, long-range level. Although the molecular cation CH3 NH3 + is intrinsically polar, it is heavily disordered and this cannot be the sole reason for the ferroelectricity. We show that it, nonetheless, plays an important role, as it distorts the neighboring iodide positions from their centrosymmetric positions.

A New Picture of Fire Extent, Variability, and Drought Interaction in Prescribed Fire Landscapes: Insights From Florida Government Records.

Florida, United States, government records provide a new resource for studying fire in landscapes managed with prescribed fire. In Florida, most fire area (92%) is prescribed. Current satellite fire products, which underpin most air pollution emission inventories, detect only 25% of burned area, which alters airborne emissions and environmental impacts. Moreover, these satellite products can misdiagnose spatiotemporal variability of fires. Overall fire area in Florida decreases during drought conditions as prescribed fires are avoided, but satellite data do not reflect this pattern. This pattern is consistent with prescribed fire successfully reducing overall fire risk and damages. Human management of prescribed fires and fuels can, therefore, break the conventional link between drought and wildfire and play an important role in mitigating rising fire risk in a changing climate. These results likely apply in other regions of the world with similar fire regimes.

A third blind test of crystal structure prediction.

Following the interest generated by two previous blind tests of crystal structure prediction (CSP1999 and CSP2001), a third such collaborative project (CSP2004) was hosted by the Cambridge Crystallographic Data Centre. A range of methodologies used in searching for and ranking the likelihood of predicted crystal structures is represented amongst the 18 participating research groups, although most are based on the global minimization of the lattice energy. Initially the participants were given molecular diagrams of three molecules and asked to submit three predictions for the most likely crystal structure of each. Unlike earlier blind tests, no restriction was placed on the possible space group of the target crystal structures. Furthermore, Z' = 2 structures were allowed. Part-way through the test, a partial structure report was discovered for one of the molecules, which could no longer be considered a blind test. Hence, a second molecule from the same category (small, rigid with common atom types) was offered to the participants as a replacement. Success rates within the three submitted predictions were lower than in the previous tests - there was only one successful prediction for any of the three ;blind' molecules. For the ;simplest' rigid molecule, this lack of success is partly due to the observed structure crystallizing with two molecules in the asymmetric unit. As in the 2001 blind test, there was no success in predicting the structure of the flexible molecule. The results highlight the necessity for better energy models, capable of simultaneously describing conformational and packing energies with high accuracy. There is also a need for improvements in search procedures for crystals with more than one independent molecule, as well as for molecules with conformational flexibility. These are necessary requirements for the prediction of possible thermodynamically favoured polymorphs. Which of these are actually realised is also influenced by as yet insufficiently understood processes of nucleation and crystal growth.

Reading disability and defects of the middle ear.

The impedance bridge test is a sensitive and objective measure of the integrity and function of the middle ear. Tympanograms obtained from children with a specific reading disability were compared with those from a matched group of controls. A significantly higher prevalence of defects of the middle ear was shown in the test group.