Improved electronic transport properties of tin-halide perovskites

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7 Citations (Scopus)

Abstract

Density functional theory in combination with the nonequilibrium Green's function formalism is used to study the electronic transport properties of MAPbI3, MASnI3 and mixed-MAPb0.5Sn0.5I3 perovskites (MA–methylammonium). The largest electronic transport is obtained for tin-halide sample due to the delocalization of electronic states in the system. The mixed sample also shows improved transport properties as compared to the lead-halide system. In addition, tin-based perovskites are less sensitive to the spin-orbit interactions, whereas the electronic transport properties of MAPbI3 are strongly affected by the relativistic effects. These findings indicate the possibility of enhancing charge carrier transport in organometallic perovskites by metal atom mixing.

Original languageEnglish
Pages (from-to)8-12
Number of pages5
JournalSolar Energy Materials and Solar Cells
Volume170
DOIs
Publication statusPublished - 1 Oct 2017

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Tin
Transport properties
Carrier transport
Electronic states
Organometallics
Charge carriers
Green's function
Density functional theory
Orbits
Lead
Metals
Atoms

Keywords

  • Density functional theory
  • Electronic transport
  • Green's functions
  • Hybrid perovskite

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Renewable Energy, Sustainability and the Environment
  • Surfaces, Coatings and Films

Cite this

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title = "Improved electronic transport properties of tin-halide perovskites",
abstract = "Density functional theory in combination with the nonequilibrium Green's function formalism is used to study the electronic transport properties of MAPbI3, MASnI3 and mixed-MAPb0.5Sn0.5I3 perovskites (MA–methylammonium). The largest electronic transport is obtained for tin-halide sample due to the delocalization of electronic states in the system. The mixed sample also shows improved transport properties as compared to the lead-halide system. In addition, tin-based perovskites are less sensitive to the spin-orbit interactions, whereas the electronic transport properties of MAPbI3 are strongly affected by the relativistic effects. These findings indicate the possibility of enhancing charge carrier transport in organometallic perovskites by metal atom mixing.",
keywords = "Density functional theory, Electronic transport, Green's functions, Hybrid perovskite",
author = "Golibjon Berdiyorov and Mohamed Madjet and Fadwa El-Mellouhi",
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T1 - Improved electronic transport properties of tin-halide perovskites

AU - Berdiyorov, Golibjon

AU - Madjet, Mohamed

AU - El-Mellouhi, Fadwa

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Y1 - 2017/10/1

N2 - Density functional theory in combination with the nonequilibrium Green's function formalism is used to study the electronic transport properties of MAPbI3, MASnI3 and mixed-MAPb0.5Sn0.5I3 perovskites (MA–methylammonium). The largest electronic transport is obtained for tin-halide sample due to the delocalization of electronic states in the system. The mixed sample also shows improved transport properties as compared to the lead-halide system. In addition, tin-based perovskites are less sensitive to the spin-orbit interactions, whereas the electronic transport properties of MAPbI3 are strongly affected by the relativistic effects. These findings indicate the possibility of enhancing charge carrier transport in organometallic perovskites by metal atom mixing.

AB - Density functional theory in combination with the nonequilibrium Green's function formalism is used to study the electronic transport properties of MAPbI3, MASnI3 and mixed-MAPb0.5Sn0.5I3 perovskites (MA–methylammonium). The largest electronic transport is obtained for tin-halide sample due to the delocalization of electronic states in the system. The mixed sample also shows improved transport properties as compared to the lead-halide system. In addition, tin-based perovskites are less sensitive to the spin-orbit interactions, whereas the electronic transport properties of MAPbI3 are strongly affected by the relativistic effects. These findings indicate the possibility of enhancing charge carrier transport in organometallic perovskites by metal atom mixing.

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KW - Electronic transport

KW - Green's functions

KW - Hybrid perovskite

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