Hysteretic Ion Migration and Remanent Field in Metal Halide Perovskites

The gap in understanding how underlying chemical dynamics impact the functionality of metal halide perovskites (MHPs) leads to the controversy about the origin of many phenomena associated with ion migration in MHPs. In particular, the debate regarding the impact of ion migration on current–voltage (I–V) hysteresis of MHPs devices has lasted for many years, where the difficulty lies in directly uncovering the chemical dynamics, as well as identifying and separating the impact of specific ions. In this work, using a newly developed time‐resolved time‐of‐flight secondary ion mass spectrometry CH3NH3+ and I− migrations in CH3NH3PbI3 are directly observed, revealing hysteretic CH3NH3+ and I− migrations. Additionally, hysteretic CH3NH3+ migration is illumination‐dependent. Correlating these results with the I–V characterization, this work uncovers that CH3NH3+ redistribution can induce a remanent field leading to a spontaneous current in the device. It unveils that the CH3NH3+ migration is responsible for the illumination‐associated I–V hysteresis in MHPs. Hysteretic ion migration has not been uncovered and the contribution of any ions (e.g., CH3NH3+) has not been specified before. Such insightful and detailed information has up to now been missing, which is critical to improving MHPs photovoltaic performance and developing MHPs‐based memristors and synaptic devices.

[1]  H. Sebastian Seung,et al.  Learning the parts of objects by non-negative matrix factorization , 1999, Nature.

[2]  Tsutomu Miyasaka,et al.  Organometal halide perovskites as visible-light sensitizers for photovoltaic cells. , 2009, Journal of the American Chemical Society.

[3]  Juan Bisquert,et al.  Photoinduced Giant Dielectric Constant in Lead Halide Perovskite Solar Cells. , 2014, The journal of physical chemistry letters.

[4]  Nakita K. Noel,et al.  Anomalous Hysteresis in Perovskite Solar Cells. , 2014, The journal of physical chemistry letters.

[5]  Eric T. Hoke,et al.  Hysteresis and transient behavior in current–voltage measurements of hybrid-perovskite absorber solar cells , 2014 .

[6]  Fujun Zhang,et al.  Dynamic interface charge governing the current-voltage hysteresis in perovskite solar cells. , 2015, Physical chemistry chemical physics : PCCP.

[7]  Eric T. Hoke,et al.  Reversible photo-induced trap formation in mixed-halide hybrid perovskites for photovoltaics† †Electronic supplementary information (ESI) available: Experimental details, PL, PDS spectra and XRD patterns. See DOI: 10.1039/c4sc03141e Click here for additional data file. , 2014, Chemical science.

[8]  A. Zaban,et al.  Photoinduced Reversible Structural Transformations in Free-Standing CH3NH3PbI3 Perovskite Films. , 2015, The journal of physical chemistry letters.

[9]  Juan Bisquert,et al.  Capacitive Dark Currents, Hysteresis, and Electrode Polarization in Lead Halide Perovskite Solar Cells. , 2015, The journal of physical chemistry letters.

[10]  Bin Hu,et al.  Revealing Underlying Processes Involved in Light Soaking Effects and Hysteresis Phenomena in Perovskite Solar Cells , 2015 .

[11]  Fujun Zhang,et al.  Anomalously large interface charge in polarity-switchable photovoltaic devices: an indication of mobile ions in organic–inorganic halide perovskites , 2015 .

[12]  Zhengguo Xiao,et al.  Light‐Induced Self‐Poling Effect on Organometal Trihalide Perovskite Solar Cells for Increased Device Efficiency and Stability , 2015 .

[13]  Michael Grätzel,et al.  The Significance of Ion Conduction in a Hybrid Organic-Inorganic Lead-Iodide-Based Perovskite Photosensitizer. , 2015, Angewandte Chemie.

[14]  Qingfeng Dong,et al.  Giant switchable photovoltaic effect in organometal trihalide perovskite devices. , 2015, Nature materials.

[15]  Emilio Palomares,et al.  Optoelectronic Studies of Methylammonium Lead Iodide Perovskite Solar Cells with Mesoporous TiO₂: Separation of Electronic and Chemical Charge Storage, Understanding Two Recombination Lifetimes, and the Evolution of Band Offsets during J-V Hysteresis. , 2015, Journal of the American Chemical Society.

[16]  Dongmei Li,et al.  Interfaces in perovskite solar cells. , 2015, Small.

[17]  Bo Chen,et al.  Impact of Capacitive Effect and Ion Migration on the Hysteretic Behavior of Perovskite Solar Cells. , 2015, The journal of physical chemistry letters.

[18]  Wei Zhang,et al.  Photo-induced halide redistribution in organic–inorganic perovskite films , 2016, Nature Communications.

[19]  Mario Caironi,et al.  Ion Migration and the Role of Preconditioning Cycles in the Stabilization of the J–V Characteristics of Inverted Hybrid Perovskite Solar Cells , 2016 .

[20]  G. Garcia‐Belmonte,et al.  Ionic charging by local imbalance at interfaces in hybrid lead halide perovskites , 2016 .

[21]  M. Roeffaers,et al.  Degradation of Methylammonium Lead Iodide Perovskite Structures through Light and Electron Beam Driven Ion Migration , 2016, The journal of physical chemistry letters.

[22]  Michael D. McGehee,et al.  Light-Induced Phase Segregation in Halide-Perovskite Absorbers , 2016 .

[23]  N. Zhao,et al.  Native Defect‐Induced Hysteresis Behavior in Organolead Iodide Perovskite Solar Cells , 2016 .

[24]  D. Cahen,et al.  Temperature-dependent Hysteresis in MAPbI3 Solar Cells , 2016, 1604.03907.

[25]  Kai Zhu,et al.  Organic-inorganic hybrid lead halide perovskites for optoelectronic and electronic applications. , 2016, Chemical Society reviews.

[26]  A. Köhler,et al.  Iodine Migration and its Effect on Hysteresis in Perovskite Solar Cells , 2016, Advanced materials.

[27]  D. Schlettwein,et al.  I–V hysteresis of methylammonium lead halide perovskite films on microstructured electrode arrays: Dependence on preparation route and voltage scale , 2016 .

[28]  S. Gradečak,et al.  Impacts of Ion Segregation on Local Optical Properties in Mixed Halide Perovskite Films. , 2016, Nano letters.

[29]  E. Mosconi,et al.  Mobile Ions in Organohalide Perovskites: Interplay of Electronic Structure and Dynamics , 2016, Proceedings of the nanoGe Fall Meeting 2018.

[30]  Matthew J. Carnie,et al.  Ionic Influences on Recombination in Perovskite Solar Cells , 2017 .

[31]  Jinsong Huang,et al.  Spontaneous Passivation of Hybrid Perovskite by Sodium Ions from Glass Substrates: Mysterious Enhancement of Device Efficiency Revealed , 2017 .

[32]  I. Mora‐Seró,et al.  Interfaces in Perovskite Solar Cells , 2017 .

[33]  Anders Hagfeldt,et al.  Migration of cations induces reversible performance losses over day/night cycling in perovskite solar cells , 2017 .

[34]  Relationship between ion migration and interfacial degradation of CH3NH3PbI3 perovskite solar cells under thermal conditions , 2017, Scientific Reports.

[35]  Dong Hoe Kim,et al.  Extrinsic ion migration in perovskite solar cells , 2017 .

[36]  X. Wen,et al.  Inverted Hysteresis in CH3NH3PbI3 Solar Cells: Role of Stoichiometry and Band Alignment. , 2017, The journal of physical chemistry letters.

[37]  O. Ovchinnikova,et al.  Metal/Ion Interactions Induced p-i-n Junction in Methylammonium Lead Triiodide Perovskite Single Crystals. , 2017, Journal of the American Chemical Society.

[38]  J. Bisquert,et al.  Effects of Ion Distributions on Charge Collection in Perovskite Solar Cells , 2017 .

[39]  Rui Zhu,et al.  Enhanced photovoltage for inverted planar heterojunction perovskite solar cells , 2018, Science.

[40]  Sergei V. Kalinin,et al.  Deep data analysis via physically constrained linear unmixing: universal framework, domain examples, and a community-wide platform , 2018, Advanced Structural and Chemical Imaging.

[41]  Sergei V. Kalinin,et al.  Dynamic behavior of CH3NH3PbI3 perovskite twin domains , 2018, Applied Physics Letters.

[42]  J. Bisquert,et al.  Unravelling the role of vacancies in lead halide perovskite through electrical switching of photoluminescence , 2018, Nature Communications.

[43]  Sergei V. Kalinin,et al.  Deep Data Analytics in Structural and Functional Imaging of Nanoscale Materials , 2018 .

[44]  David T. Limmer,et al.  Intrinsic anion diffusivity in lead halide perovskites is facilitated by a soft lattice , 2018, Proceedings of the National Academy of Sciences.

[45]  Sergei V. Kalinin,et al.  Chemical nature of ferroelastic twin domains in CH3NH3PbI3 perovskite , 2018, Nature Materials.

[46]  Song Jin,et al.  Visualization and Studies of Ion-Diffusion Kinetics in Cesium Lead Bromide Perovskite Nanowires. , 2018, Nano letters.

[47]  Ichiro Takeuchi,et al.  Unsupervised phase mapping of X-ray diffraction data by nonnegative matrix factorization integrated with custom clustering , 2018, npj Computational Materials.

[48]  Yongzhen Wu,et al.  Extrinsic Movable Ions in MAPbI3 Modulate Energy Band Alignment in Perovskite Solar Cells , 2018 .

[49]  Olivier Durand,et al.  Light-induced lattice expansion leads to high-efficiency perovskite solar cells , 2018, Science.

[50]  M. Loi,et al.  The Role of the Interfaces in Perovskite Solar Cells , 2019, Advanced Materials Interfaces.

[51]  Sergei V. Kalinin,et al.  Spatially Resolved Carrier Dynamics at MAPbBr3 Single Crystal-Electrode Interface. , 2019, ACS applied materials & interfaces.

[52]  Sergei V. Kalinin,et al.  Light‐Ferroic Interaction in Hybrid Organic–Inorganic Perovskites , 2019, Advanced Optical Materials.

[53]  M. Kanatzidis,et al.  Two-dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations. , 2019, Journal of the American Chemical Society.

[54]  Q. Gong,et al.  Perovskite solar cell towards lower toxicity: a theoretical study of physical lead reduction strategy. , 2019, Science bulletin.

[55]  G. M. Stocks,et al.  Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys , 2018, npj Computational Materials.

[56]  Q. Gong,et al.  Minimizing non-radiative recombination losses in perovskite solar cells , 2019, Nature Reviews Materials.

[57]  Yongsheng Chen,et al.  Integrated Perovskite/Bulk‐Heterojunction Organic Solar Cells , 2019, Advanced materials.

[58]  Sergei V. Kalinin,et al.  Strain–Chemical Gradient and Polarization in Metal Halide Perovskites , 2020, Advanced Electronic Materials.

[59]  O. Ovchinnikova,et al.  Tuning spin-orbit coupling towards enhancing photocurrent in hybrid organic-inorganic perovskites by using mixed organic cations , 2020 .

[60]  R. Dauskardt,et al.  Comment on “Light-induced lattice expansion leads to high-efficiency perovskite solar cells” , 2020, Science.

[61]  A. Ievlev,et al.  Twin domains modulate light-matter interactions in metal halide perovskites , 2020 .

[62]  A. Mohite,et al.  Response to Comment on “Light-induced lattice expansion leads to high-efficiency solar cells” , 2020, Science.

[63]  M. Becker,et al.  High performance perovskites solar cells by hybrid perovskites co-crystallized with poly(ethylene oxide) , 2020 .

[64]  A. Ievlev,et al.  Secondary Ion Mass Spectrometry (SIMS) for Chemical Characterization of Metal Halide Perovskites , 2020, Advanced Functional Materials.

[65]  Duncan N. Johnstone,et al.  Performance-limiting nanoscale trap clusters at grain junctions in halide perovskites , 2020, Nature.

[66]  Chem. , 2020, Catalysis from A to Z.