Importance of Spin-Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applications

International audienceThree-dimensional (3D) hybrid perovskites CH3NH3PbX3 (X = Br, I) have recently been suggested as new key materials for dye-sensitized solar cells (DSSC) leading to a new class of hybrid semiconductor photovoltaic cells (HSPC). Thanks to density functional theory calculations, we show that the band gap of these compounds is dominated by a giant spin-orbit coupling (SOC) in the conduction-band (CB). At room temperature, direct and isotropic optical transitions are associated to a spin-orbit split-off band related to the triply degenerated CB of the cubic lattice without SOC. Due to the strong SOC, the electronic states involved in the optical absorption are only slightly perturbed by local distortions of the lattice. In addition, band offset calculations confirm that CH3NH3PbX3/TiO2 is a reference material for driving electrons toward the electrode in HSPC. Two-dimensional (2D) hybrids are also suggested to reach further flexibility for light conversion efficiency. Our study affords the basic concepts to reach the level of knowledge already attained for optoelectronic properties of conventional semiconductors

The violent youth of bright and massive cluster galaxies and their maturation over 7 billion years

In this study, we investigate the formation and evolution mechanisms of the brightest cluster galaxies (BCGs) over cosmic time. At high redshift (z ∼ 0.9), we selected BCGs and most massive cluster galaxies (MMCGs) from the Cl1604 supercluster and compared them to low-redshift (z ∼ 0.1) counterparts drawn from the MCXC meta-catalogue, supplemented by Sloan Digital Sky Survey imaging and spectroscopy. We observed striking differences in the morphological, colour, spectral, and stellar mass properties of the BCGs/MMCGs in the two samples. High-redshift BCGs/MMCGs were, in many cases, star-forming, late-type galaxies, with blue broad-band colours, properties largely absent amongst the low-redshift BCGs/MMCGs. The stellar mass of BCGs was found to increase by an average factor of 2.51 ± 0.71 from z ∼ 0.9 to z ∼ 0.1. Through this and other comparisons, we conclude that a combination of major merging (mainly wet or mixed) and in situ star formation are the main mechanisms which build stellar mass in BCGs/MMCGs. The stellar mass growth of the BCGs/MMCGs also appears to grow in lockstep with both the stellar baryonic and total mass of the cluster. Additionally, BCGs/MMCGs were found to grow in size, on average, a factor of ∼3, while their average Sérsic index increased by ∼0.45 from z ∼ 0.9 to z ∼ 0.1, also supporting a scenario involving major merging, though some adiabatic expansion is required. These observational results are compared to both models and simulations to further explore the implications on processes which shape and evolve BCGs/MMCGs over the past ∼7 Gyr

Urchinlike Nanostructure of Single-Crystalline Nanorods of Sb2S3 Formed at Mild Reaction Condition

Urchinlike nanostructure of well-defined Sb2S3 crystals of 3-4 mu m in length and 30-150 nm in diameter oriented along [001] direction have been produced at a mild reaction temperature of 90 degrees C from SbCl3 and S-methyl 3-phenyldithiocarbazate [C6H5NHNHC(S)SMe] in ethylene glycol medium. During the reaction, the amorphous Sb2S3 spheres of 1.4 mu m in diameter were formed at early reaction stage and then crystalline nanorods were continuously grown at the surface of Sb2S3 spheres while transforming their morphology into urchinlike structure. The urchinlike Sb2S3 was composed of single-crystalline Sb2S3 nanorods, belong to the orthorhombic phase with cell parameters a = 11.307 angstrom, b = 11.278 angstrom, c = 3.847 angstrom and absorbed the light up to 750 nm-wavelength region. The urchinlike Sb2S3 architecture was applied to the photoelectrochemical cellclose