First-principles study on the electronic and optical properties of cubic ABX3 halide perovskites

@article{Lang2014FirstprinciplesSO,
  title={First-principles study on the electronic and optical properties of cubic ABX3 halide perovskites},
  author={Li Lang and Ji-Hui Yang and Hengrui Liu and Hongjun Xiang and Xin-Gao Gong},
  journal={Physics Letters A},
  year={2014},
  volume={378},
  pages={290-293}
}
The structural, electronic and phonon behavior of CsPbI3: A first principles study
Metal halide perovskites are optoelectronic materials that have attracted enormous attention as solar cells with power conversion efficiencies reaching 20%. The benefit of using hybrid compounds
First-principles hybrid functional study of the electronic structure and charge carrier mobility in perovskite CH 3 NH 3 SnI 3
We calculate the electronic properties and carrier mobility of perovskite CH3NH3SnI3 as a solar cell absorber by using the hybrid functional method. The calculated result shows that the electron and
Importance of Orbital Interactions in Determining Electronic Band Structures of Organo-Lead Iodide
Organic–inorganic perovskites are promising materials for improving the efficiency of solar cells, but there are still uncovered issues on the understanding of their electronic band structures. Using
A First-Principles Study on the Structural and Electronic Properties of Sn-Based Organic–Inorganic Halide Perovskites
Organic–inorganic halide perovskites have attracted increasing interest on solar-energy harvesting because of their outstanding electronic properties. In this work, we systematically investigate the
First-Principles Study of Lead Iodide Perovskite Tetragonal and Orthorhombic Phases for Photovoltaics
Methylammonium lead iodide perovskite, CH3NH3PbI3, has attracted particular attention because of its fast increase in efficiency as solid-state solar cells. We performed first-principles calculations
Tuning Bandgaps of Mixed Halide and Oxide Perovskites CsSnX3 (X=Cl, I), and SrBO3 (B=Rh, Ti)
Perovskites have recently attracted interest in the field of solar energy due to their excellent photovoltaic properties. We herein present a new approach to the composition of lead free perovskites
First-principles study of structural and optoelectronic properties of CsSnI3−yFy (y = 0, 1, 2, 3) perovskites
The halide perovskites are attractive for solar cells due to their excellent power conversion efficiency and low cost. The structural properties of Sn-based halide perovskites CsSnI3−y Fy (y = 0, 1,
...
1
2
3
4
5
...

References

SHOWING 1-10 OF 33 REFERENCES
Charge-transport in tin-iodide perovskite CH3NH3SnI3: origin of high conductivity.
TLDR
The present study shows that artificial hole doping indeed enhances the conductivity of a metal-halide cubic perovskite, and is suggested to result from spontaneous hole-doping in the crystallization process, rather than the semi-metal electronic structure.
Importance of Spin–Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applications
Three-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
First-Principles Modeling of Mixed Halide Organometal Perovskites for Photovoltaic Applications
We computationally investigate organometal CH3NH3PbX3 and mixed halide CH3NH3PbI2X perovskites (X = Cl, Br, I), which are key materials for high efficiency solid-state solar cells. CH3NH3PbX3
Preparation and transport properties of hybrid organic–inorganic CH3NH3SnBr3 films
We describe the preparation, structural and transport properties of CH3NH3SnBr3 organic–inorganic hybrid films (500 nm thick), which crystallize as cubic perovskites. They were deposited by single
A low temperature structural phase transition in CsPbF3
The structural behaviour of caesium lead fluoride, CsPbF3, has been investigated as a function of temperature in the range 148(2)≤T (K)≤276(2). The presence of a structural phase transition at ~190 K
Synthesis, Resistivity, and Thermal Properties of the Cubic Perovskite NH2CH=NH2SnI3and Related Systems
Abstract Combining concentrated hydriodic acid solutions of tin(II) iodide and formamidine acetate in an inert atmosphere results in the precipitation of a new conducting organic–inorganic compound,
Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites
TLDR
A low-cost, solution-processable solar cell, based on a highly crystalline perovskite absorber with intense visible to near-infrared absorptivity, that has a power conversion efficiency of 10.9% in a single-junction device under simulated full sunlight is reported.
...
1
2
3
4
...