Enhancing Intrinsic Stability of Hybrid Perovskite Solar Cell by Strong, yet Balanced, Electronic Coupling

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Abstract

In the past few years, the meteoric development of hybrid organic-inorganic perovskite solar cells (PSC) astonished the community. The efficiency has already reached the level needed for commercialization; however, the instability hinders its deployment on the market. Here, we report a mechanism to chemically stabilize PSC absorbers. We propose to replace the widely used methylammonium cation (CH3NH3 +) by alternative molecular cations allowing an enhanced electronic coupling between the cation and the PbI6 octahedra while maintaining the band gap energy within the suitable range for solar cells. The mechanism exploits establishing a balance between the electronegativity of the materials' constituents and the resulting ionic electrostatic interactions. The calculations demonstrate the concept of enhancing the electronic coupling, and hence the stability, by exploring the stabilizing features of CH3PH3 +, CH3SH2 +, and SH3 + cations, among several other possible candidates. Chemical stability enhancement hence results from a strong, yet balanced, electronic coupling between the cation and the halides in the octahedron. This shall unlock the hindering instability problem for PSCs and allow them to hit the market as a serious low-cost competitor to silicon based solar cell technologies.

Original languageEnglish
Article number30305
JournalScientific Reports
Volume6
DOIs
Publication statusPublished - 26 Jul 2016

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Cations
Solar cells
Electronegativity
Chemical stability
Silicon
Coulomb interactions
Energy gap
Perovskite solar cells
Costs

ASJC Scopus subject areas

  • General

Cite this

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title = "Enhancing Intrinsic Stability of Hybrid Perovskite Solar Cell by Strong, yet Balanced, Electronic Coupling",
abstract = "In the past few years, the meteoric development of hybrid organic-inorganic perovskite solar cells (PSC) astonished the community. The efficiency has already reached the level needed for commercialization; however, the instability hinders its deployment on the market. Here, we report a mechanism to chemically stabilize PSC absorbers. We propose to replace the widely used methylammonium cation (CH3NH3 +) by alternative molecular cations allowing an enhanced electronic coupling between the cation and the PbI6 octahedra while maintaining the band gap energy within the suitable range for solar cells. The mechanism exploits establishing a balance between the electronegativity of the materials' constituents and the resulting ionic electrostatic interactions. The calculations demonstrate the concept of enhancing the electronic coupling, and hence the stability, by exploring the stabilizing features of CH3PH3 +, CH3SH2 +, and SH3 + cations, among several other possible candidates. Chemical stability enhancement hence results from a strong, yet balanced, electronic coupling between the cation and the halides in the octahedron. This shall unlock the hindering instability problem for PSCs and allow them to hit the market as a serious low-cost competitor to silicon based solar cell technologies.",
author = "Fadwa El-Mellouhi and Bentria, {El Tayeb} and Sergey Rashkeev and Sabre Kais and Fahhad Alharbi",
year = "2016",
month = "7",
day = "26",
doi = "10.1038/srep30305",
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journal = "Scientific Reports",
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publisher = "Nature Publishing Group",

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T1 - Enhancing Intrinsic Stability of Hybrid Perovskite Solar Cell by Strong, yet Balanced, Electronic Coupling

AU - El-Mellouhi, Fadwa

AU - Bentria, El Tayeb

AU - Rashkeev, Sergey

AU - Kais, Sabre

AU - Alharbi, Fahhad

PY - 2016/7/26

Y1 - 2016/7/26

N2 - In the past few years, the meteoric development of hybrid organic-inorganic perovskite solar cells (PSC) astonished the community. The efficiency has already reached the level needed for commercialization; however, the instability hinders its deployment on the market. Here, we report a mechanism to chemically stabilize PSC absorbers. We propose to replace the widely used methylammonium cation (CH3NH3 +) by alternative molecular cations allowing an enhanced electronic coupling between the cation and the PbI6 octahedra while maintaining the band gap energy within the suitable range for solar cells. The mechanism exploits establishing a balance between the electronegativity of the materials' constituents and the resulting ionic electrostatic interactions. The calculations demonstrate the concept of enhancing the electronic coupling, and hence the stability, by exploring the stabilizing features of CH3PH3 +, CH3SH2 +, and SH3 + cations, among several other possible candidates. Chemical stability enhancement hence results from a strong, yet balanced, electronic coupling between the cation and the halides in the octahedron. This shall unlock the hindering instability problem for PSCs and allow them to hit the market as a serious low-cost competitor to silicon based solar cell technologies.

AB - In the past few years, the meteoric development of hybrid organic-inorganic perovskite solar cells (PSC) astonished the community. The efficiency has already reached the level needed for commercialization; however, the instability hinders its deployment on the market. Here, we report a mechanism to chemically stabilize PSC absorbers. We propose to replace the widely used methylammonium cation (CH3NH3 +) by alternative molecular cations allowing an enhanced electronic coupling between the cation and the PbI6 octahedra while maintaining the band gap energy within the suitable range for solar cells. The mechanism exploits establishing a balance between the electronegativity of the materials' constituents and the resulting ionic electrostatic interactions. The calculations demonstrate the concept of enhancing the electronic coupling, and hence the stability, by exploring the stabilizing features of CH3PH3 +, CH3SH2 +, and SH3 + cations, among several other possible candidates. Chemical stability enhancement hence results from a strong, yet balanced, electronic coupling between the cation and the halides in the octahedron. This shall unlock the hindering instability problem for PSCs and allow them to hit the market as a serious low-cost competitor to silicon based solar cell technologies.

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