Steric Impediment of Ion Migration Contributes to Improved Operational Stability of Perovskite Solar Cells.
Shaun Tan,Ilhan Yavuz,Nicholas De Marco,Tianyi Huang,Sung-Joon Lee,Christopher S. Choi,Minhuan Wang,Selbi Nuryyeva,Rui Wang,Yepin Zhao,Hao Cheng Wang,Tae Hee Han,Tae Hee Han,Bruce Dunn,Yu Huang,Jin-Wook Lee,Jin-Wook Lee,Yang Yang +17 more
TLDR
It is observed 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.Abstract:
The operational instability of perovskite solar cells (PSCs) is known 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 observed 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.read more
Citations
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Stability of Perovskite Light‐Emitting Diodes: Existing Issues and Mitigation Strategies Related to Both Material and Device Aspects
Lingmei Kong,Xiaoyu Zhang,Chengxi Zhang,Lin Wang,Sheng Wei Wang,Fan Cao,Degang Zhao,Andrey L. Rogach,Xuyong Yang +8 more
TL;DR: In this paper , the origins of instability of perovskite materials and reasons for their degradation in LEDs are considered, and strategies for improving the stability of pervskite material are reviewed, such as compositional engineering, dimensionality control, defect passivation, suitable encapsulation matrices, and fabrication of core/shell perovsite nanocrystals.
Journal ArticleDOI
A critical review of materials innovation and interface stabilization for efficient and stable perovskite photovoltaics
TL;DR: In this paper, an important tool to explore efficient and stable perovskite solar cells based on organometal halide composites and interface stabilization strategies is presented. But, their operational stability remains a challenge, which are attributed to the ionic nature of Omh perovsites and defects of heterojunction interfaces in a stacked solar cell.
Journal ArticleDOI
Suppressing ion migration in metal halide perovskite via interstitial doping with a trace amount of multivalent cations
Yepin Zhao,Ilhan Yavuz,Minhuan Wang,Marc Weber,Mingjie Xu,Joo-Hong Lee,Shaun Tan,Tianyi Huang,Dong Meng,Rui Wang,Jingjing Xue,Sung-Joon Lee,Sang-Hoon Bae,Anni Zhang,Seung-Gu Choi,Yanfeng Yin,Jin Liu,Tae Hee Han,Yan Shi,Hongru Ma,Wenxin Yang,Qiyu Xing,Yifan Zhou,P. S. Shi,Sisi Wang,E. Zhang,Jiming Bian,Xiaoqing Pan,Nam-Gyu Park,Jin-Wook Lee,Yang Michael Yang +30 more
TL;DR: In this paper , a trivalent neodymium cation (Nd3+) was used to suppress the ion migration in perovskite lattice with a reduced dosage.
Journal ArticleDOI
Using steric hindrance to manipulate and stabilize metal halide perovskites for optoelectronics
TL;DR: In this article, the authors summarize the applications of steric hindrance in manipulating and stabilizing perovskites and discuss the similarities and differences of the steric hinderance between perovsite solar cells and perov-skite light emission diodes.
Journal ArticleDOI
Incorporation of Lithium Fluoride Restraining Thermal Degradation and Photodegradation of Organometal Halide Perovskite Solar Cells.
TL;DR: LiF has shown its potential as a promising ionic passivator, and the phenomenal achievement of device stability by LiF provides a clear insight to overcome the stability issues of PSCs, a key to the commercialization of next-generation photovoltaics.
References
More filters
Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI
Projector augmented-wave method
TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
Journal ArticleDOI
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: A detailed description and comparison of algorithms for performing ab-initio quantum-mechanical calculations using pseudopotentials and a plane-wave basis set is presented in this article. But this is not a comparison of our algorithm with the one presented in this paper.
Journal ArticleDOI
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
TL;DR: The revised DFT-D method is proposed as a general tool for the computation of the dispersion energy in molecules and solids of any kind with DFT and related (low-cost) electronic structure methods for large systems.