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Ionic transport in hybrid lead iodide perovskite solar cells.

Eames C, Frost JM, Barnes PR, O'Regan BC, Walsh A, Islam MS - Nat Commun (2015)

Bottom Line: Ionic transport has been suggested to be an important factor contributing to these effects; however, the chemical origin of this transport and the mobile species are unclear.Here, the activation energies for ionic migration in methylammonium lead iodide (CH3NH3PbI3) are derived from first principles, and are compared with kinetic data extracted from the current-voltage response of a perovskite-based solar cell.We identify the microscopic transport mechanisms, and find facile vacancy-assisted migration of iodide ions with an activation energy of 0.6 eV, in good agreement with the kinetic measurements.

View Article: PubMed Central - PubMed

Affiliation: Department of Chemistry, University of Bath, Bath BA2 7AY, UK.

ABSTRACT
Solar cells based on organic-inorganic halide perovskites have recently shown rapidly rising power conversion efficiencies, but exhibit unusual behaviour such as current-voltage hysteresis and a low-frequency giant dielectric response. Ionic transport has been suggested to be an important factor contributing to these effects; however, the chemical origin of this transport and the mobile species are unclear. Here, the activation energies for ionic migration in methylammonium lead iodide (CH3NH3PbI3) are derived from first principles, and are compared with kinetic data extracted from the current-voltage response of a perovskite-based solar cell. We identify the microscopic transport mechanisms, and find facile vacancy-assisted migration of iodide ions with an activation energy of 0.6‚ÄČeV, in good agreement with the kinetic measurements. The results of this combined computational and experimental study suggest that hybrid halide perovskites are mixed ionic-electronic conductors, a finding that has major implications for solar cell device architectures.

No MeSH data available.


Related in: MedlinePlus

Perovskite structure of CH3NH3PbI3.Methylammonium cation (CH3NH3+) occupies the central A site surrounded by 12 nearest-neighbour iodide ions in corner-sharing PbI6 octahedra.
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f1: Perovskite structure of CH3NH3PbI3.Methylammonium cation (CH3NH3+) occupies the central A site surrounded by 12 nearest-neighbour iodide ions in corner-sharing PbI6 octahedra.

Mentions: Solar cell materials based on organo-lead halide perovskites are attracting extraordinary attention on account of the rapid rise in their solar-to-electricity conversion efficiencies12345. Other key features of these hybrid perovskites include their ease of solution-based processing at low temperature, and their strong optical absorption, although there are significant stability issues. Devices based on methylammonium lead iodide, CH3NH3PbI3, have dominated most research67891011121314151617181920212223242526272829303132, as so far they exhibit the highest power conversion efficiencies (>20%); these values are comparable to those of the best thin-film solar cells based on Cu(In,Ga)Se2 or CdTe, but greater than those of conventional dye-sensitized or organic solar cells. The ABX3 perovskite-type structure, illustrated in Fig. 1, is comprised of an extended framework of corner-sharing PbI6 octahedra with the methylammonium cation (CH3NH3+) occupying the central A site and surrounded by 12 nearest-neighbour iodide ions.


Ionic transport in hybrid lead iodide perovskite solar cells.

Eames C, Frost JM, Barnes PR, O'Regan BC, Walsh A, Islam MS - Nat Commun (2015)

Perovskite structure of CH3NH3PbI3.Methylammonium cation (CH3NH3+) occupies the central A site surrounded by 12 nearest-neighbour iodide ions in corner-sharing PbI6 octahedra.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4491179&req=5

f1: Perovskite structure of CH3NH3PbI3.Methylammonium cation (CH3NH3+) occupies the central A site surrounded by 12 nearest-neighbour iodide ions in corner-sharing PbI6 octahedra.
Mentions: Solar cell materials based on organo-lead halide perovskites are attracting extraordinary attention on account of the rapid rise in their solar-to-electricity conversion efficiencies12345. Other key features of these hybrid perovskites include their ease of solution-based processing at low temperature, and their strong optical absorption, although there are significant stability issues. Devices based on methylammonium lead iodide, CH3NH3PbI3, have dominated most research67891011121314151617181920212223242526272829303132, as so far they exhibit the highest power conversion efficiencies (>20%); these values are comparable to those of the best thin-film solar cells based on Cu(In,Ga)Se2 or CdTe, but greater than those of conventional dye-sensitized or organic solar cells. The ABX3 perovskite-type structure, illustrated in Fig. 1, is comprised of an extended framework of corner-sharing PbI6 octahedra with the methylammonium cation (CH3NH3+) occupying the central A site and surrounded by 12 nearest-neighbour iodide ions.

Bottom Line: Ionic transport has been suggested to be an important factor contributing to these effects; however, the chemical origin of this transport and the mobile species are unclear.Here, the activation energies for ionic migration in methylammonium lead iodide (CH3NH3PbI3) are derived from first principles, and are compared with kinetic data extracted from the current-voltage response of a perovskite-based solar cell.We identify the microscopic transport mechanisms, and find facile vacancy-assisted migration of iodide ions with an activation energy of 0.6 eV, in good agreement with the kinetic measurements.

View Article: PubMed Central - PubMed

Affiliation: Department of Chemistry, University of Bath, Bath BA2 7AY, UK.

ABSTRACT
Solar cells based on organic-inorganic halide perovskites have recently shown rapidly rising power conversion efficiencies, but exhibit unusual behaviour such as current-voltage hysteresis and a low-frequency giant dielectric response. Ionic transport has been suggested to be an important factor contributing to these effects; however, the chemical origin of this transport and the mobile species are unclear. Here, the activation energies for ionic migration in methylammonium lead iodide (CH3NH3PbI3) are derived from first principles, and are compared with kinetic data extracted from the current-voltage response of a perovskite-based solar cell. We identify the microscopic transport mechanisms, and find facile vacancy-assisted migration of iodide ions with an activation energy of 0.6‚ÄČeV, in good agreement with the kinetic measurements. The results of this combined computational and experimental study suggest that hybrid halide perovskites are mixed ionic-electronic conductors, a finding that has major implications for solar cell device architectures.

No MeSH data available.


Related in: MedlinePlus