The pursuit of stability in halide perovskites: the monovalent cation and the key for surface and bulk self-healing

被引:42
作者
Ceratti, D. R. [1 ]
Cohen, A. V. [1 ]
Tenne, R. [2 ]
Rakita, Y. [1 ]
Snarski, L. [1 ]
Jasti, N. P. [3 ,4 ]
Cremonesi, L. [5 ,6 ]
Cohen, R. [3 ]
Weitman, M. [3 ]
Rosenhek-Goldian, I. [7 ]
Kaplan-Ashiri, I. [7 ]
Bendikov, T. [7 ]
Kalchenko, V. [8 ]
Elbaum, M. [9 ]
Potenza, M. A. C. [5 ,6 ]
Kronik, L. [1 ]
Hodes, G. [1 ]
Cahen, D. [1 ,3 ,4 ]
机构
[1] Weizmann Inst Sci, Dept Mat & Interfaces, IL-7610001 Rehovot, Israel
[2] Weizmann Inst Sci, Dept Phys Complex Syst, IL-7610001 Rehovot, Israel
[3] Bar Ilan Univ, Dept Chem, IL-5290002 Ramat Gan, Israel
[4] Bar Ilan Univ, Bar Ilan Inst Adv Mater, BINA, IL-5290002 Ramat Gan, Israel
[5] Univ Milan, Dept Phys, Via Celoria,16, I-20133 Milan, Italy
[6] Univ Milan, CIMAINA, Via Celoria,16, I-20133 Milan, Italy
[7] Weizmann Inst Sci, Dept Chem Res Support, IL-7610001 Rehovot, Israel
[8] Weizmann Inst Sci, Dept Vet Resources, IL-7610001 Rehovot, Israel
[9] Weizmann Inst Sci, Dept Chem & Biol Phys, IL-7610001 Rehovot, Israel
基金
欧盟地平线“2020”;
关键词
SOLAR-CELLS; WORK-FUNCTION; LEAD; DEGRADATION; CH3NH3PBI3; PHOTODECOMPOSITION; COORDINATION; DIFFUSION; TRANSPORT; EFFICIENT;
D O I
10.1039/d1mh00006c
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We find significant differences between degradation and healing at the surface or in the bulk for each of the different APbBr(3) single crystals (A = CH3NH3+, methylammonium (MA); HC(NH2)(2)(+), formamidinium (FA); and cesium, Cs+). Using 1- and 2-photon microscopy and photobleaching we conclude that kinetics dominate the surface and thermodynamics the bulk stability. Fluorescence-lifetime imaging microscopy, as well as results from several other methods, relate the (damaged) state of the halide perovskite (HaP) after photobleaching to its modified optical and electronic properties. The A cation type strongly influences both the kinetics and the thermodynamics of recovery and degradation: FA heals best the bulk material with faster self-healing; Cs+ protects the surface best, being the least volatile of the A cations and possibly through O-passivation; MA passivates defects via methylamine from photo-dissociation, which binds to Pb2+. DFT simulations provide insight into the passivating role of MA, and also indicate the importance of the Br-3(-) defect as well as predicts its stability. The occurrence and rate of self-healing are suggested to explain the low effective defect density in the HaPs and through this, their excellent performance. These results rationalize the use of mixed A-cation materials for optimizing both solar cell stability and overall performance of HaP-based devices, and provide a basis for designing new HaP variants.
引用
收藏
页码:1570 / 1586
页数:17
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