共 41 条
Tailoring Interface Energies via Phosphonic Acids to Grow and Stabilize Cubic FAPI3 Deposited by Thermal Evaporation
被引:11
作者:

Castro-Mendez, Andres-Felipe
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Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA

Jahanbakhshi, Farzaneh
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Univ Penn, Dept Chem, Philadelphia, PA 19104 USA Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA

LaFollette, Diana K.
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Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA

Lawrie, Benjamin J.
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机构:
Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA
Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA

Li, Ruipeng
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机构:
Brookhaven Natl Lab, Natl Synchrotron Light Source NSLS II 2, Upton, NY 11967 USA Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA

Perini, Carlo A. R.
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Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA

Rappe, Andrew M.
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Univ Penn, Dept Chem, Philadelphia, PA 19104 USA Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA

Correa-Baena, Juan-Pablo
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h-index: 0
机构:
Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA
Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA
机构:
[1] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA
[2] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA
[3] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA
[4] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA
[5] Brookhaven Natl Lab, Natl Synchrotron Light Source NSLS II 2, Upton, NY 11967 USA
[6] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA
基金:
美国国家航空航天局;
美国国家科学基金会;
关键词:
PEROVSKITE SOLAR-CELLS;
HALIDE PEROVSKITES;
LATTICE STRAIN;
FORMAMIDINIUM;
D O I:
10.1021/jacs.4c03911
中图分类号:
O6 [化学];
学科分类号:
0703 ;
摘要:
Coevaporation of formamidinium lead iodide (FAPbI(3)) is a promising route for the fabrication of highly efficient and scalable optoelectronic devices, such as perovskite solar cells. However, it poses experimental challenges in achieving stoichiometric FAPbI(3) films with a cubic structure (alpha-FAPbI(3)). In this work, we show that undesired hexagonal phases of both PbI2 and FAPbI(3) form during thermal evaporation, including the well-known 2H-FAPbI(3), which are detrimental for optoelectronic performance. We demonstrate the growth of alpha-FAPbI(3) at room temperature via thermal evaporation by depositing phosphonic acids (PAc) on substrates and subsequently coevaporating PbI2 and formamidinium iodide. We use density-functional theory to develop a theoretical model to understand the relative growth energetics of the alpha and 2H phases of FAPbI(3) for different molecular interactions. Experiments and theory show that the presence of PAc molecules stabilizes the formation of alpha-FAPbI(3) in thin films when excess molecules are available to migrate during growth. This migration of molecules facilitates the continued presence of adsorbed organic precursors at the free surface throughout the evaporation, which lowers the growth energy of the alpha-FAPbI(3) phase. Our theoretical analyses of PAc molecule-molecule interactions show that ligands can form hydrogen bonding to reduce the migration rate of the molecules through the deposited film, limiting the effects on the crystal structure stabilization. Our results also show that the phase stabilization with molecules that migrate is long-lasting and resistant to moist air. These findings enable reliable formation and processing of alpha-FAPbI(3) films via vapor deposition.
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页码:18459 / 18469
页数:11
相关论文
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MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photomol Sci, CH-1015 Lausanne, Switzerland

Abate, Antonio
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Adolphe Merkle Inst, Chemin Verdiers 4, CH-1700 Fribourg, Switzerland Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photomol Sci, CH-1015 Lausanne, Switzerland

Saliba, Michael
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Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photon & Interfaces, CH-1015 Lausanne, Switzerland Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photomol Sci, CH-1015 Lausanne, Switzerland

Tress, Wolfgang
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Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photon & Interfaces, CH-1015 Lausanne, Switzerland Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photomol Sci, CH-1015 Lausanne, Switzerland

Jacobsson, T. Jesper
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Univ Cambridge, Dept Chem, Christian Doppler Lab Sustainable Syngas Chem, Cambridge, England Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photomol Sci, CH-1015 Lausanne, Switzerland

Gratzel, Michael
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Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photon & Interfaces, CH-1015 Lausanne, Switzerland Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photomol Sci, CH-1015 Lausanne, Switzerland

Hagfeldt, Anders
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Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photomol Sci, CH-1015 Lausanne, Switzerland Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photomol Sci, CH-1015 Lausanne, Switzerland
[10]
Theory of Hydrogen Migration in Organic-Inorganic Halide Perovskites
[J].
Egger, David A.
;
Kronik, Leeor
;
Rappe, Andrew M.
.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,
2015, 54 (42)
:12437-12441

Egger, David A.
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Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel

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Rappe, Andrew M.
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Univ Penn, Dept Chem, Makineni Theoret Labs, Philadelphia, PA 19104 USA Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel