Hole Trapping by Iodine Interstitial Defects Decreases Free Carrier Losses in Perovskite Solar Cells: A Time-Domain Ab Initio Study

ACS Energy Letters, Journal Year: 2017, Volume and Issue: 2(6), P. 1270 - 1278

Published: May 5, 2017

We present a time-domain ab initio study of electron–hole recombination in pristine MAPbI3, and compare it to the trap mediated MAPbI3 with iodine interstitial defect. Nonadiabatic molecular dynamics combined density functional theory show that defect creates subgap state capable trapping both electrons holes. Hole occurs much faster than electron or recombination. The trapped hole survives for hundreds nanoseconds, because, rather surprisingly, takes several times longer holes valence band. Because is relatively shallow, can escape into band prior recombining electron. differences are rationalized by variation nonadiabatic electron–phonon couplings, phonon-induced pure-dephasing electronic energy gaps. atomistic simulations contribute understanding experimentally known defect-tolerance perovskite solar cells, which great importance cell performance.

Language: Английский

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The Role of Grain Boundaries on Ionic Defect Migration in Metal Halide Perovskites

Advanced Energy Materials, Journal Year: 2020, Volume and Issue: 10(20)

Published: April 19, 2020

Abstract Halide perovskites are emerging as revolutionary materials for optoelectronics. Their ionic nature and the presence of mobile defects within crystal structure have a dramatic influence on operation thin‐film devices such solar cells, light‐emitting diodes, transistors. Thin films often polycrystalline it is still under debate how grain boundaries affect migration ions corresponding defects. Laser excitation during photoluminescence (PL) microscopy experiments leads to formation subsequent defects, which affects dynamics charge carrier recombination. From microscopic observation lateral PL distribution, change in distribution over time can be inferred. Resolving space single crystals thin with different sizes thus, provides crucial information about defect movement. In conjunction experimental observations, atomistic simulations show that trapped at boundaries, thus inhibiting their diffusion. Hence, this study, comprehensive picture highlighting fundamental property material provided while also setting theoretical framework interaction between understood.

Language: Английский

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Review on efficiency improvement effort of perovskite solar cell

Solar Energy, Journal Year: 2022, Volume and Issue: 233, P. 421 - 434

Published: Feb. 1, 2022

Language: Английский

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Highly efficient and stable perovskite solar cells enabled by low-dimensional perovskitoids

Science Advances, Journal Year: 2022, Volume and Issue: 8(4)

Published: Jan. 26, 2022

Deep traps originated from the defects formed at surfaces and grain boundaries of perovskite absorbers during their lattice assembly are main reasons that cause nonradiative recombination material degradation, which notably affect efficiency stability solar cells (PSCs). Here, we demonstrate substantially improved PSC performance by capping photoactive layer with low-dimensional (LD) perovskitoids. The undercoordinated Pb ions metallic three-dimensional (3D) effectively passivated via Pb-I bonding favorably lattice-matched 3D/LD interface. good hydrophobicity LD (0D 1D) perovskitoids allow excellent protection 3D active under severe environmental conditions. exhibits a power conversion 24.18%, reproduced in an accredited independent photovoltaic testing laboratory. unencapsulated device maintains 90% its initial after 800 hours continuous illumination maximum point operating

Language: Английский

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High‐Performance Ternary Perovskite–Organic Solar Cells

Advanced Materials, Journal Year: 2022, Volume and Issue: 34(13)

Published: Jan. 17, 2022

Perovskite solar cells in which 2D perovskites are incorporated within a 3D perovskite network exhibit improved stability with respect to purely systems, but lower record power conversion efficiencies (PCEs). Here, breakthrough is reported achieving enhanced PCEs, increased stability, and suppressed photocurrent hysteresis by incorporating n-type, low-optical-gap conjugated organic molecules into 2D:3D mixed composites. The resulting ternary perovskite-organic composites display extended absorption the near-infrared region, film morphology, enlarged crystallinity, balanced charge transport, efficient photoinduced transfer, counter-ion movement. As result, PCEs over 23%, among best for p-i-n device structure. Moreover, possess dramatically diminished hysteresis. All these results demonstrate that strategy of exploiting composite thin films provides facile way realize high-performance cells.

Language: Английский

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