A hybrid organic-inorganic perovskite dataset

A hybrid organic-inorganic perovskite dataset

Hybrid organic-inorganic perovskites (HOIPs) have been attracting a great deal of attention due to their versatility of electronic properties and fabrication methods. We prepare a dataset of 1,346 HOIPs, which features 16 organic cations, 3 group-IV cations and 4 halide anions. Using a combination of an atomic structure search method and density functional theory calculations, the optimized str...

Ultra-Low Thermal Conductivity in Organic-Inorganic Hybrid Perovskite CH3NH3PbI3.

We report on the temperature dependence of thermal conductivity of single crystalline and polycrystalline organometallic perovskite CH3NH3PbI3. The comparable absolute values and temperature dependence of the two samples' morphologies indicate the minor role of the grain boundaries on the heat transport. Theoretical modeling demonstrates the importance of the resonant scattering in both specime...

Anomalous photovoltaic effect in organic-inorganic hybrid perovskite solar cells

Organic-inorganic hybrid perovskites (OIHPs) have been demonstrated to be highly successful photovoltaic materials yielding very-high-efficiency solar cells. We report the room temperature observation of an anomalous photovoltaic (APV) effect in lateral structure OIHP devices manifested by the device's open-circuit voltage (VOC) that is much larger than the bandgap of OIHPs. The persistent VOC ...

Mechanism of charge recombination in meso-structured organic-inorganic hybrid perovskite solar cells: A macroscopic perspective

Structural and electronic features of small hybrid organic-inorganic halide perovskite clusters: a theoretical analysis.

We herein present the results of a series of calculations performed on some representative cluster models of hybrid organic-inorganic halide perovskites, (MA)jPbkXl (l = 2j + k; MA = methylammonium, +CH3NH3; X = halide). In particular, aimed at finding possible analogies with the bulk, we focused our initial attention on neutral clusters of iodides (X = I) constituted by an increasing number of...