Related papers: Large Thermal Motion in Halide Perovskites
Despite soaring performance of organic-inorganic hybrid perovskite materials in recent years, the mechanism of their decomposition at actual operation condition has been elusive. Herein, we elucidated the decrystallization process of…
Organic-inorganic lead halide perovskites containing a mixture of iodide and bromide anions consistently perform better in donor-acceptor heterojunction solar cells than the standard methylammonium lead triiodide material. This observation…
Perovskite solar cells have shown remarkable efficiencies beyond 22%, through organic and inorganic cation alloying. However, the role of alkali-metal cations is not well-understood. By using synchrotron-based nano-X-ray fluorescence and…
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…
Mixed-halide perovskites offer a route to enhance phase stability and modify optoelectronic properties. Here, we use large-scale molecular dynamics simulations with a reactive force field to investigate defects in…
Hybrid organic-inorganic halide perovskites have shown remarkable optoelectronic properties (1-3), believed to originate from correlated motion of charge carriers and the polar lattice forming large polarons (4-7). Few experimental…
Organic-inorganic hybrid halide perovskites, in which the A cations of an ABX$_3$ perovskite are replaced by organic cations, may be used for photovoltaic and solar thermoelectric applications. In this contribution, we systematically study…
Anisotropic displacement parameters (ADPs) are commonly used in crystallography, chemistry and related fields to describe and quantify thermal motion of atoms. Within the very recent years, these ADPs have become predictable by lattice…
The extended carrier lifetime in hybrid halide perovskites was attributed to a quasi-indirect band gap that arises due to Rashba splitting in both conduction and valence band edges. In this paper, we present results for an effective…
The low frequency lattice vibrations and relaxations are investigated in single crystals of the four 3D hybrid organolead perovskites, MAPbBr$_3$, FAPbBr$_3$, MAPbI$_3$, and $\alpha$-FAPbI$_3$, at the Brillouin zone center using Raman and…
In this study, by means of classical molecular dynamics simulations, we investigated the thermal transport properties of hexagonal single-layer, zinc-blend and wurtzite phases of BN, AlN, and GaN crystals, which are very promising for the…
Organic-inorganic halide perovskite solar cells have attracted much attention due to their low-cost fabrication, flexibility, and high-power conversion efficiency. More recent efforts show that the reduction from three- to two-dimensions…
The 2D/3D construction of hybrid perovskite interfaces is gaining increasing attention due to their enhanced stability towards degradation without compromising the corresponding solar cell efficiency. Much of it is due to the interfacial…
Recently, an aziridinium lead iodide perovskite was proposed as a possible solar cell absorber material. We investigated the stability of this material using a density-functional theory with an emphasis on the ring strain associated with…
Organic-inorganic halide perovskites (OIHPs) are promising optoelectronic materials, but their instability under radiation environments restricts their durability and practical applications. Here we employ electron and synchrotron X-ray…
Optoelectronics based on metal halide perovskites (MHPs) have shown substantial promise, following more than a decade of research. For prime routes of commercialization such as tandem solar cells, optical modeling is essential for…
Naturals and synthetic perovskites are widely used functional materials thanks to their particular physical properties, such as superconductivity, ferroelectricity and photo-activity. Many of these properties are related to static or…
Perovskite solar cells have achieved a substantial breakthrough via advanced interface engineerings. Reports have emphasized that combining the hybrid perovskites with Lewis base and graphene improve the performance; the underlying…
Structure differences of isotopically different dodecaborides LuNB12 (N = 10, 11, natural) and their impact on thermal and charge transport characteristics of the crystals have been first discovered. Atomic displacement parameters (ADPs) of…
Two critical limitations of organic-inorganic lead halide perovskite materials for solar cells are their poor stability in humid environments and inclusion of toxic lead. In this study, high-throughput density functional theory (DFT)…