Journal
ADVANCED FUNCTIONAL MATERIALS
Volume 31, Issue 34, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/adfm.202104633
Keywords
defect passivation; grain boundary; graphdiyne; ion migration; perovskite solar cells
Categories
Funding
- National Key Research and Development Program of China [2018YFA0703503, 2016YFA0202701]
- Overseas Expertise Introduction Projects for Discipline Innovation (111 project) [B14003]
- National Natural Science Foundation of China [51991340, 51991342, 52072031, 51527802, 51702014, 51722203, 51672026]
- State Key Laboratory for Advanced Metals and Materials [2018Z-03, 2019Z-04]
- Fundamental Research Funds for the Central Universities [FRF-TP-19-005A2, FRF-TP-20-008A3]
- Natural Science Foundation of Beijing Municipality [Z180011]
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This study proposes an effective solution to alleviate defects at grain boundaries in hybrid perovskite films by incorporating pyridinic nitrogen-doped graphdiyne (N-GDY), which passivates deep-level trap states and reduces non-radiative recombination. The 2D structure of N-GDY also helps to address halide ion migration behavior, leading to improved performance of energy conversion devices related to polycrystalline perovskite materials.
The solution processing in hybrid perovskite films inevitably results in the formation of detrimental defects at grain boundaries (GBs) that deteriorate the optoelectronic properties and bring about severe hysteresis as well as operational instability. Here, an effective scenario to alleviate the imperfection issue at perovskite GBs via incorporating pyridinic nitrogen-doped graphdiyne (N-GDY) is proposed. Taking full advantage of periodic acetylenic linkages and introduced pyridinic N atoms, the deep-level trap states like Pb-I antisite defects and under-coordinated Pb atoms are considerably passivated, thus diminishing the undesired non-radiative recombination. Additionally, the spatial confinement coupling with electrostatic repulsion effect originated from the intrinsic 2D structure of N-GDY, has been identified to deal with the halide ion migration behavior. Such contributions are further theoretically evidenced with the charge density delocalization as well as the ion migration energy barrier elevation. The authors unprecedentedly verified the superiorities based on the flexible chemical-tailorability of atomic crystal GDY materials toward polycrystalline perovskite related energy conversion devices.
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