Related papers: Caloric Effects in Methylammonium Lead Iodide from…
We report the synthesis and crystal structure of an organic inorganic compound, ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4. Synchrotron based single crystal X-ray diffraction experiments revealed that the pristine and thermally…
Methylammonium lead iodide (CH3NH3PbI3) based solar cells have shown impressive power conversion efficiencies of above 20%. However, the microscopic mechanism of the high photovoltaic performance is yet to be fully understood. Particularly,…
Perovskite-based optoelectronic devices have shown great promise for solar conversion and other optoelectronic applications, but their long-term performance instability is regarded as a major obstacle to their widespread deployment.…
Halide perovskites are strongly influenced by large amplitude anharmonic lattice fluctuations at room temperature. We develop a tight binding model for dynamically disordered MAPbI$_3$ based on density functional theory (DFT) calculations…
The mechanical properties of hybrid perovskite materials are important for device flexibility, resistance to fracture, epitaxial growth, surface energetics of quantum dots, and induction or relief of stress in thin films due to thermal…
We use path integral molecular dynamics simulations and theory to elucidate the interactions between charge carriers, as mediated by a lead halide perovskite lattice. We find that the charge-lattice coupling of MAPbI$_3$ results in a…
We present Raman and terahertz absorbance spectra of methylammonium lead halide single crystals (MAPbX3, X = I, Br, Cl) at temperatures between 80 and 370 K. These results show good agreement with density-functional-theory phonon…
Organic-inorganic halide perovskites have been intensively re-investigated due to their applications, yet the opto-electronic function of the organic cation remains unclear. Through organic-selective resonant Auger electron spectroscopy…
Metal halide perovskites exhibit a materials physics that is distinct from traditional inorganic and organic semiconductors. While materials such as CH3NH3PbI3 are non-magnetic, the presence of heavy elements (Pb and I) in a…
Excellent conversion efficiencies of over 20 % and facile cell production have placed hybrid perovskites at the forefront of novel solar cell materials with CH3NH3PbI3 being its archetypal compound. The question why CH3NH3PbI3 has such…
Photochemical stability of encapsulated films of mixed halide perovskites with a range of MAPb(I1-xBrx)3 compositions (solid solutions) was investigated under accelerated stressing using concentrated sunlight. Evolution of light absorption…
Organic-inorganic hybrid double perovskites have attracted increasing interest in the commercialization of lead-free and nontoxic perovskites due to their unique optoelectronic properties compared with inorganic perovskites. In this study,…
For opto-electronic and photo-voltaic applications of perovskites, it is essential to know the optical properties and intrinsic losses of the used materials. A systematic microscopic analysis is presented for the example of methylammonium…
Despite their puzzling vibrational characteristics that include strong signatures of anharmonicity and thermal disorder already around room temperature, halide perovskites exhibit favorable optoelectronic properties for applications in…
Inhomogeneous strain may develop in hybrid organic metal-halide perovskite thin films due to thermal expansion mismatch with a fabrication substrate, polycrystallinity or even light soaking. Measuring these spatially varying strains is…
By means of a mean-field model extended to include magnetovolumic effects we study the effect of external fields on the thermal response characterized either by the isothermal entropy change and/or the adiabatic temperature change. The…
FAPbI3, as a typical hybrid organic-inorganic perovskite, has attracted considerable interest due to its band gap suitable for visible light absorption and good thermal stability. A barrier to the use of FAPbI3 in commercial, stable devices…
The thermoelectric properties of halide perovskites $\mathrm{CsMI_3}$ (M=Sn and Pb) are investigated from a combination of first-principles calculations and semiclassical Boltzmann transport theory by considering both the electron and…
In a search for Lead-free materials that could be used as alternatives to the hybrid perovskites,(MA)PbX3, in photovoltaic applications, we have discovered a hybrid double perovskite, (MA)2KBiCl6, which shows striking similarities to the…
The esoteric importance of intermolecular hydrogen bonding interaction to design novel methylammonium trihalide organic-inorganic hybrid perovskite solar cell materials is uncovered, establishing the unified structure-property relationship…