We have used first principles methods to calculate the partitioning of water between perovskite and ringwoodite under lower mantle and Fe-free conditions. We find that incorporation of water into ringwoodite is more favourable than into perovskite by about 0.25 eV per formula unit, or about 24 kJ/mol. This translates to a ringwoodite to perovskite partition coefficient of between 10 and 13, dep...

Recent studies show that the D'' layer, just above the Earth's core-mantle boundary, is composed of MgSiO3 post-perovskite and has significant lateral inhomogeneity. Here we consider the D'' diversity as related to the single-crystal elasticity of the post-perovskite phase. We measure the single-crystal elasticity of the perovskite Pbnm-CaIrO3 and post-perovskite Cmcm-CaIrO3 using inelastic X-r...

The past two years have witnessed unprecedentedly rapid development of organic-inorganic halide perovskite-based solar cells. The solution-processability and high efficiency make this technology extraordinarily attractive. The intensive investigations have accumulated rich experiences in the perovskite fabrication; while the mechanism of the chemical synthesis still remains unresolved. Here, we...

We demonstrate four- and two-terminal perovskite-perovskite tandem solar cells with ideally matched band gaps. We develop an infrared-absorbing 1.2-electron volt band-gap perovskite, FA0.75Cs0.25Sn0.5Pb0.5I3, that can deliver 14.8% efficiency. By combining this material with a wider-band gap FA0.83Cs0.17Pb(I0.5Br0.5)3 material, we achieve monolithic two-terminal tandem efficiencies of 17.0% wit...

Despite organometal halide perovskite solar cells have recently exhibited a significant leap in efficiency, the Sn-based perovskite solar cells still suffer from low efficiency. Here, a series homogeneous CH3NH3Pb(1-x)SnxI3 (0 ≤ x ≤ 1) perovskite thin films with full coverage were obtained via solvent engineering. In particular, the intermediate complexes of PbI2/(SnI2)∙(DMSO)x were proved to r...

Organic–inorganic hybrid perovskite solar cells (PSCs) have emerged as a new class of optoelectronic semiconductors that revolutionized the photovoltaic research in the recent years. The perovskite solar cells present numerous advantages include unique electronic structure, bandgap tunability, superior charge transport properties, facile processing, and low cost. Perovskite solar cells have dem...

[1] The electronic spin and valence states of Fe in post‐ perovskite ((Mg0.75Fe0.25)SiO3) have been investigated by synchrotron X‐ray diffraction, Mössbauer and X‐ray emission spectroscopy at 142 GPa and 300 K. Rietveld refinement of the X‐ray diffraction patterns revealed that our sample was dominated by CaIrO3‐type post‐perovskite. Combined Mössbauer and X‐ray emission results show that Fe in...

We present investigations on the interface formation between the hybrid perovskite MAPbI3 and various substrates, covering a wide range of work functions. The perovskite films are incrementally evaporated in situ while the electronic structure is evaluated using photoelectron spectroscopy. Our results show that there is an induction period in the growth of the perovskite during which volatile c...

"Film-through large perovskite grains formation via a combination of sequential thermal and solvent treatment" (2016). Organic–inorganic halide perovskites have recently attracted strong research interest for fabrication of high-performance, low-cost photovoltaic devices. Recently, we reported a highly reproducible procedure to fabricate high-performance organic–inor-ganic halide perovskite sol...

Ab initio molecular dynamics simulations were performed to investigate the elasticity of cubic CaSiO3 perovskite at high pressure and temperature. All three independent elastic constants for cubic CaSiO3 perovskite, C11, C12, and C44, were calculated from the computation of stress generated by small strains. The elastic constants were used to estimate the moduli and seismic wave velocities at t...