Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Steric Impediment of Ion Migration Contributes to Improved Operational Stability of Perovskite Solar Cells

Journal Article · · Advanced Materials
 [1];  [2];  [3];  [3];  [3];  [3];  [3];  [3];  [3];  [3];  [3];  [4];  [3];  [3];  [5];  [3]
  1. Univ. of California, Los Angeles, CA (United States); University of California, Los Angeles
  2. Marmara Univ., Istanbul (Turkey)
  3. Univ. of California, Los Angeles, CA (United States)
  4. Univ. of California, Los Angeles, CA (United States); Hanyang Univ., Seoul (Korea, Republic of)
  5. Univ. of California, Los Angeles, CA (United States); Sungkyunkwan Univ., Suwon (Republic of Korea)
The operational instability of perovskite solar cells (PSCs) is understood to mainly originate from the migration of ionic species (or charged defects) under a potential gradient. Compositional engineering of the “A” site cation of the ABX3 perovskite structure has been shown to be an effective route to improve the stability of PSCs. Here, the effect of size-mismatch-induced lattice distortions on the ion migration energetics and operational stability of PSCs is investigated. It is determined that the size mismatch of the mixed “A” site composition films and devices leads to a steric effect to impede the migration pathways of ions to increase the activation energy of ion migration, which is demonstrated through multiple theoretical and experimental evidence. Consequently, the mixed composition devices exhibit significantly improved thermal stability under continuous heating at 85 °C and operational stability under continuous 1 sun illumination, with an extrapolated lifetime of 2011 h, compared to the 222 h of the reference device.
Research Organization:
Univ. of California, Los Angeles, CA (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office; USDOE Office of Energy Efficiency and Renewable Energy (EERE), Solar Energy Technologies Office
Grant/Contract Number:
EE0008751
OSTI ID:
1597115
Alternate ID(s):
OSTI ID: 1668456
OSTI ID: 1597163
Journal Information:
Advanced Materials, Journal Name: Advanced Materials Journal Issue: 11 Vol. 32; ISSN 0935-9648
Publisher:
WileyCopyright Statement
Country of Publication:
United States
Language:
English

References (65)

High-Efficiency Perovskite Solar Cells Based on the Black Polymorph of HC(NH 2 ) 2 PbI 3 journal June 2014
Interface and Defect Engineering for Metal Halide Perovskite Optoelectronic Devices journal September 2018
A Gradient Heterostructure Based on Tolerance Factor in High-Performance Perovskite Solar Cells with 0.84 Fill Factor journal November 2018
Efficient and Stable Inverted Perovskite Solar Cells Incorporating Secondary Amines journal September 2019
Intrinsic Thermal Instability of Methylammonium Lead Trihalide Perovskite journal June 2015
Formamidinium and Cesium Hybridization for Photo- and Moisture-Stable Perovskite Solar Cell journal September 2015
Ionic Reactivity at Contacts and Aging of Methylammonium Lead Triiodide Perovskite Solar Cells journal February 2016
Perovskite Solar Cell Stability in Humid Air: Partially Reversible Phase Transitions in the PbI 2 -CH 3 NH 3 I-H 2 O System journal July 2016
Effect of Electron-Transport Material on Light-Induced Degradation of Inverted Planar Junction Perovskite Solar Cells journal June 2017
Mixed-Organic-Cation Perovskite Photovoltaics for Enhanced Solar-Light Harvesting journal February 2014
Mixed-Organic-Cation Perovskite Photovoltaics for Enhanced Solar-Light Harvesting journal February 2014
Stabilization of Organic-Inorganic Perovskite Layers by Partial Substitution of Iodide by Bromide in Methylammonium Lead Iodide journal March 2016
Semiempirical GGA-type density functional constructed with a long-range dispersion correction journal January 2006
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
A Bifunctional Lewis Base Additive for Microscopic Homogeneity in Perovskite Solar Cells journal August 2017
Charging up Stationary Energy Storage journal January 2019
Caffeine Improves the Performance and Thermal Stability of Perovskite Solar Cells journal June 2019
Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys journal December 2015
Iodine Migration and Degradation of Perovskite Solar Cells Enhanced by Metallic Electrodes journal November 2016
Effect of Bromine Substitution on the Ion Migration and Optical Absorption in MAPbI 3 Perovskite Solar Cells: The First-Principles Study journal February 2018
Improved Phase Stability of Formamidinium Lead Triiodide Perovskite by Strain Relaxation journal October 2016
Light-Induced Anion Phase Segregation in Mixed Halide Perovskites journal November 2017
Not All That Glitters Is Gold: Metal-Migration-Induced Degradation in Perovskite Solar Cells journal May 2016
Transformation of the Excited State and Photovoltaic Efficiency of CH 3 NH 3 PbI 3 Perovskite upon Controlled Exposure to Humidified Air
  • Christians, Jeffrey A.; Miranda Herrera, Pierre A.; Kamat, Prashant V.
  • Journal of the American Chemical Society, Vol. 137, Issue 4 https://doi.org/10.1021/ja511132a
journal January 2015
Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells journal May 2009
Hybrid Germanium Iodide Perovskite Semiconductors: Active Lone Pairs, Structural Distortions, Direct and Indirect Energy Gaps, and Strong Nonlinear Optical Properties journal May 2015
First-Principles Study of Ion Diffusion in Perovskite Solar Cell Sensitizers journal August 2015
Crystalline Liquid-like Behavior: Surface-Induced Secondary Grain Growth of Photovoltaic Perovskite Thin Film journal August 2019
Chemical Management for Colorful, Efficient, and Stable Inorganic–Organic Hybrid Nanostructured Solar Cells journal March 2013
Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin–Orbit Coupling and Octahedra Tilting journal May 2014
Investigation of CH 3 NH 3 PbI 3 Degradation Rates and Mechanisms in Controlled Humidity Environments Using in Situ Techniques journal January 2015
Sequential deposition as a route to high-performance perovskite-sensitized solar cells journal July 2013
Light-activated photocurrent degradation and self-healing in perovskite solar cells journal May 2016
Trapped charge-driven degradation of perovskite solar cells journal November 2016
Ionic transport in hybrid lead iodide perovskite solar cells journal June 2015
Self-formed grain boundary healing layer for highly efficient CH3NH3PbI3 perovskite solar cells journal June 2016
Structural absorption by barbule microstructures of super black bird of paradise feathers journal January 2018
Large guanidinium cation mixed with methylammonium in lead iodide perovskites for 19% efficient solar cells journal December 2017
Systematic investigation of the impact of operation conditions on the degradation behaviour of perovskite solar cells journal January 2018
Surface passivation of perovskite film for efficient solar cells journal April 2019
High-resolution X-ray luminescence extension imaging journal February 2021
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect journal February 2020
Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide journal October 2016
Solid-state principles applied to organic–inorganic perovskites: new tricks for an old dog journal January 2014
Defect migration in methylammonium lead iodide and its role in perovskite solar cell operation journal January 2015
Entropic stabilization of mixed A-cation ABX 3 metal halide perovskites for high performance perovskite solar cells journal January 2016
Cesium-containing triple cation perovskite solar cells: improved stability, reproducibility and high efficiency journal January 2016
Modulation of photovoltage in mesoscopic perovskite solar cell by controlled interfacial electron injection journal January 2015
Light and oxygen induced degradation limits the operational stability of methylammonium lead triiodide perovskite solar cells journal January 2016
Migration of cations induces reversible performance losses over day/night cycling in perovskite solar cells journal January 2017
Tuning CH 3 NH 3 Pb(I 1−x Br x ) 3 perovskite oxygen stability in thin films and solar cells journal January 2017
Bias-dependent degradation of various solar cells: lessons for stability of perovskite photovoltaics journal January 2019
Partial cation substitution reduces iodide ion transport in lead iodide perovskite solar cells journal January 2019
Formamidinium lead trihalide: a broadly tunable perovskite for efficient planar heterojunction solar cells journal January 2014
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu journal April 2010
Unusual defect physics in CH 3 NH 3 PbI 3 perovskite solar cell absorber journal February 2014
Projector augmented-wave method journal December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Generalized Gradient Approximation Made Simple journal October 1996
Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites journal October 2012
Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals journal January 2015
Incorporation of rubidium cations into perovskite solar cells improves photovoltaic performance journal September 2016
Efficient and stable solution-processed planar perovskite solar cells via contact passivation journal February 2017
Iodide management in formamidinium-lead-halide–based perovskite layers for efficient solar cells journal June 2017
Definition of the hydrogen bond (IUPAC Recommendations 2011) journal July 2011

Figures / Tables (8)


Similar Records

Molecular Interaction Regulates the Performance and Longevity of Defect Passivation for Metal Halide Perovskite Solar Cells
Journal Article · Sun Nov 15 19:00:00 EST 2020 · Journal of the American Chemical Society · OSTI ID:1714372

Mitigating ion migration in perovskite solar cells
Journal Article · Mon May 10 20:00:00 EDT 2021 · Trends in Chemistry · OSTI ID:1808638