Improved electronic transport properties of tin-halide perovskites

G. R. Berdiyorov; M. E. Madjet; F. El-Mellouhi

doi:10.1016/j.solmat.2017.05.045

Improved electronic transport properties of tin-halide perovskites

G. R. Berdiyorov^*
, M. E. Madjet
, F. El-Mellouhi

^*Corresponding author for this work

Hamad bin Khalifa University

Research output: Contribution to journal › Article › peer-review

13 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-MAPb_0.5Sn_0.5I₃ 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 language	English
Pages (from-to)	8-12
Number of pages	5
Journal	Solar Energy Materials and Solar Cells
Volume	170
DOIs	https://doi.org/10.1016/j.solmat.2017.05.045
Publication status	Published - Oct 2017

Keywords

Density functional theory
Electronic transport
Green's functions
Hybrid perovskite

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10.1016/j.solmat.2017.05.045

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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 = "Berdiyorov, \{G. R.\} and Madjet, \{M. E.\} and F. El-Mellouhi",

note = "Publisher Copyright: {\textcopyright} 2017 Elsevier B.V.",

year = "2017",

month = oct,

doi = "10.1016/j.solmat.2017.05.045",

language = "English",

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T1 - Improved electronic transport properties of tin-halide perovskites

AU - Berdiyorov, G. R.

AU - Madjet, M. E.

AU - El-Mellouhi, F.

PY - 2017/10

Y1 - 2017/10

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.

KW - Density functional theory

KW - Electronic transport

KW - Green's functions

KW - Hybrid perovskite

UR - https://www.scopus.com/pages/publications/85019611246

U2 - 10.1016/j.solmat.2017.05.045

DO - 10.1016/j.solmat.2017.05.045

M3 - Article

AN - SCOPUS:85019611246

SN - 0927-0248

VL - 170

SP - 8

EP - 12

JO - Solar Energy Materials and Solar Cells

JF - Solar Energy Materials and Solar Cells

ER -

Improved electronic transport properties of tin-halide perovskites

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Keywords

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