Electronic transport in organometallic perovskite CH3NH3PbI3: The role of organic cation orientations

被引：32

作者：

Berdiyorov, G. R. ^{[1
]}

El-Mellouhi, F. ^{[1
]}

Madjet, M. E. ^{[1
]}

Alharbi, F. H. ^{[1
,2
]}

Rashkeev, S. N. ^{[1
]}

机构：

[1] Hamad Bin Khalifa Univ, Qatar Fdn, Qatar Environm & Energy Res Inst, Doha, Qatar

[2] Hamad Bin Khalifa Univ, Coll Sci & Engn, Doha, Qatar

来源：

APPLIED PHYSICS LETTERS | 2016年 / 108卷 / 05期

关键词：

INORGANIC HALIDE PEROVSKITES; HIGH-PERFORMANCE; EFFICIENCY;

D O I：

10.1063/1.4941296

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Density functional theory in combination with the nonequilibrium Green's function formalism is used to study the electronic transport properties of methylammonium lead-iodide perovskite CH3NH3PbI3. Electronic transport in homogeneous ferroelectric and antiferroelectric phases, both of which do not contain any charged domain walls, is quite similar. The presence of charged domain wall drastically (by about an order of magnitude) enhances the electronic transport in the lateral direction. The increase of the transmission originates from the smaller variation of the electrostatic potential profile along the charged domain walls. This fact may provide a tool for tuning transport properties of such hybrid materials by manipulating molecular cations having dipole moment. (C) 2016 AIP Publishing LLC.

引用

页数：4

共 41 条

[11] Solar cell efficiency tables (Version 45) [J].

Green, Martin A. ;

Emery, Keith ;

Hishikawa, Yoshihiro ;

Warta, Wilhelm ;

Dunlop, Ewan D. .

PROGRESS IN PHOTOVOLTAICS, 2015, 23 (01) :1-9

[12]

Green MA, 2014, NAT PHOTONICS, V8, P506, DOI [10.1038/NPHOTON.2014.134, 10.1038/nphoton.2014.134]

[13] Semiempirical GGA-type density functional constructed with a long-range dispersion correction [J].

Grimme, Stefan .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2006, 27 (15) :1787-1799

[14] Fundamental physics behind high-efficiency organo-metal halide perovskite solar cells [J].

Hsiao, Yu-Che ;

Wu, Ting ;

Li, Mingxing ;

Liu, Qing ;

Qin, Wei ;

Hu, Bin .

JOURNAL OF MATERIALS CHEMISTRY A, 2015, 3 (30) :15372-15385

[15] Compositional engineering of perovskite materials for high-performance solar cells [J].

Jeon, Nam Joong ;

Noh, Jun Hong ;

Yang, Woon Seok ;

Kim, Young Chan ;

Ryu, Seungchan ;

Seo, Jangwon ;

Seok, Sang Il .

NATURE, 2015, 517 (7535) :476-+

[16] Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells [J].

Kojima, Akihiro ;

Teshima, Kenjiro ;

Shirai, Yasuo ;

Miyasaka, Tsutomu .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (17) :6050-+

[17] From ultrasoft pseudopotentials to the projector augmented-wave method [J].

Kresse, G ;

Joubert, D .

PHYSICAL REVIEW B, 1999, 59 (03) :1758-1775

[18] Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set [J].

Kresse, G ;

Furthmuller, J .

COMPUTATIONAL MATERIALS SCIENCE, 1996, 6 (01) :15-50

[19] The dynamics of methylammonium ions in hybrid organic-inorganic perovskite solar cells [J].

Leguy, Aurelien M. A. ;

Frost, Jarvist Moore ;

McMahon, Andrew P. ;

Sakai, Victoria Garcia ;

Kockelmann, W. ;

Law, ChunHung ;

Li, Xiaoe ;

Foglia, Fabrizia ;

Walsh, Aron ;

O'Regan, Brian C. ;

Nelson, Jenny ;

Cabral, Joao T. ;

Barnes, Piers R. F. .

NATURE COMMUNICATIONS, 2015, 6

[20] Ferroelectric Domain Wall Induced Band Gap Reduction and Charge Separation in Organometal Halide Perovskites [J].

Liu, Shi ;

Zheng, Fan ;

Koocher, Nathan Z. ;

Takenaka, Hiroyuki ;

Wang, Fenggong ;

Rappe, Andrew M. .

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2015, 6 (04) :693-699

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