Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells

@article{Frost2014AtomisticOO,
  title={Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells},
  author={Jarvist Moore Frost and Keith T. Butler and Federico Brivio and Christopher H. Hendon and Mark van Schilfgaarde and Aron Walsh},
  journal={Nano Letters},
  year={2014},
  volume={14},
  pages={2584 - 2590}
}
The performance of organometallic perovskite solar cells has rapidly surpassed that of both conventional dye-sensitized and organic photovoltaics. High-power conversion efficiency can be realized in both mesoporous and thin-film device architectures. We address the origin of this success in the context of the materials chemistry and physics of the bulk perovskite as described by electronic structure calculations. In addition to the basic optoelectronic properties essential for an efficient… 
View on PubMed
doi.org
1,881 Citations
Highly Influential Citations
15
Background Citations
131
Methods Citations
16
Results Citations
6

Figures and Tables from this paper

1,881 Citations

Temperature-Induced Lattice Relaxation of Perovskite Crystal Enhances Optoelectronic Properties and Solar Cell Performance.

In this temperature range, perovskite crystal exhibits a highly symmetrical relaxed cubic structure with well-aligned domains that are perpendicular to a principal axis, thereby remarkably improving the device operation, and provides a new key variable component and paves the way toward using perovkite crystals in highly efficient photovoltaic cells.

Photophysics of Hybrid Lead Halide Perovskites: The Role of Microstructure.

It is shown that in hybrid lead-halide perovskites dielectric screening also depends on the local microstructure of the hybrid crystals and not only on its chemical composition, which leads to the possibility of band gap engineering and the consequent control of the elementary photoexcitation dynamics that determine the perovkites' performances in different optoelectronic devices.

A Perspective on Perovskite Solar Cells

The emergence of the new class of organic–inorganic hybrid perovskite materials has found numerous applications in a plethora of next-generation optoelectronic devices like solar cells,…

Polaron Stabilization by Cooperative Lattice Distortion and Cation Rotations in Hybrid Perovskite Materials.

An in-depth computational study of small polaron formation, electronic structure, charge density, and reorganization energies using both periodic boundary conditions and isolated structures suggests formamidinium and cesium based crystals and alloys are potentially better materials for solar cell and other optoelectronic applications.

Principles of Chemical Bonding and Band Gap Engineering in Hybrid Organic–Inorganic Halide Perovskites

  • A. Walsh
  • Chemistry
    The journal of physical chemistry. C, Nanomaterials and interfaces
  • 2015
Progress in the understanding of the local and long-range chemical bonding of hybrid perovskites is discussed here, drawing from a series of computational studies involving electronic structure, molecular dynamics, and Monte Carlo simulation techniques.

Interfaces in Perovskite Solar Cells

Rapid improvement in photoconversion efficiency (PCE) of solution processable organometallic hybrid halide based perovskite solar cells (PSCs) have taken the photovoltaic (PV) community with a…

Enhancing the carrier thermalization time in organometallic perovskites by halide mixing.

This work performs ab initio nonadiabatic molecular dynamics simulations to study non-radiative relaxation dynamics of charge carriers in hybrid halide perovskites and finds that the carrier relaxation time can be considerably increased by mixing halogen atoms in theperovskite materials.

Metal Oxides as Efficient Charge Transporters in Perovskite Solar Cells

Over the past few years, hybrid halide perovskites have emerged as a highly promising class of materials for photovoltaic technology, and the power conversion efficiency of perovskite solar cells…

First-principles identification of the charge-shifting mechanism and ferroelectricity in hybrid halide perovskites

It is demonstrated that the large nonlinear photocurrent in β-(CH3NH3)PbI3 and α-HC(NH2)2Pb I3 is mostly determined by the intrinsic electronic band properties near the Fermi level, rooted in the inorganic backbone, whereas the ferroelectric polarization of the hybrid halide perovskite is largely dominated by the ionic contribution of the molecular cation.

Thin-film semiconductor perspective of organometal trihalide perovskite materials for high-efficiency solar cells

...

82 References

Electronic structure of hybrid halide perovskite photovoltaic absorbers

The performance of organometallic perovskite solar cells has rapidly surpassed those of both traditional dye-sensitized and organic photovoltaics, e.g. solar cells based on CH3NH3PbI3 have recently…

Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites

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.

Structural and electronic properties of hybrid perovskites for high-efficiency thin-film photovoltaics from first-principles

The performance of perovskite solar cells recently exceeded 15% solar-to-electricity conversion efficiency for small-area devices. The fundamental properties of the active absorber layers, hybrid…

Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials

The ability of KBNNO to absorb three to six times more solar energy than the current ferroElectric materials suggests a route to viable ferroelectric semiconductor-based cells for solar energy conversion and other applications.

Formamidinium lead trihalide: a broadly tunable perovskite for efficient planar heterojunction solar cells

Perovskite-based solar cells have attracted significant recent interest, with power conversion efficiencies in excess of 15% already superceding a number of established thin-film solar cell…

Efficient inorganic–organic hybrid heterojunction solar cells containing perovskite compound and polymeric hole conductors

Inorganic–organic hybrid structures have become innovative alternatives for next-generation dye-sensitized solar cells, because they combine the advantages of both systems. Here, we introduce a…

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…

Sequential deposition as a route to high-performance perovskite-sensitized solar cells

A sequential deposition method for the formation of the perovskite pigment within the porous metal oxide film that greatly increases the reproducibility of their performance and allows the fabrication of solid-state mesoscopic solar cells with unprecedented power conversion efficiencies and high stability.

Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber

Unrestricted Travel in Solar Cells In the past 2 years, organolead halide perovskites have emerged as a promising class of light-harvesting media in experimental solar cells, but the physical basis…

Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH3NH3PbI3

Two studies show, using a variety of time-resolved absorption and emission spectroscopic techniques, that perovskite materials manifest relatively long diffusion paths for charge carriers energized by light absorption, highlighting effective carrier diffusion as a fruitful parameter for further optimization.
...