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Interfacial charge transfer anisotropy in polycrystalline lead iodide perovskite films
Yin J.; Cortecchia D.; Krishna A.; Chen S.; Mathews N.; Grimsdale A.C.; Soci C.
2015
Source PublicationJournal of Physical Chemistry Letters
ISSN19487185
Volume6Issue:8Pages:1396-1402
AbstractSolar cells based on organic-inorganic lead iodide perovskite (CH3NH3PbI3) exhibit remarkably high power conversion efficiency (PCE). One of the key issues in solution-processed films is that often the polycrystalline domain orientation is not well-defined, which makes it difficult to predict energy alignment and charge transfer efficiency. Here we combine ab initio calculations and photoelectron spectroscopy to unravel the electronic structure and charge redistribution at the interface between different surfaces of CH3NH3PbI3 and typical organic hole acceptor Spiro-OMeTAD and electron acceptor PCBM. We find that both hole and electron interfacial transfer depend strongly on the CH3NH3PbI3 surface orientation: while the (001) and (110) surfaces tend to favor hole injection to Spiro-OMeTAD, the (100) surface facilitates electron transfer to PCBM due to surface delocalized charges and hole/electron accumulation at the CH3NH3PbI3/organic interfaces. Molecular dynamic simulations indicate that this is due to strong orbital interactions under thermal fluctuations at room temperature, suggesting the possibility to further improve charge separation and extraction in perovskite-based solar cells by controlling perovskite film crystallization and surface orientation.
Keywordcharge transfer anisotropy density functional theory interfacial energetics lead iodide perovskite
DOI10.1021/acs.jpclett.5b00431
URLView the original
Language英語
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Cited Times [WOS]:70   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionUniversity of Macau
AffiliationNanyang Technological University
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GB/T 7714
Yin J.,Cortecchia D.,Krishna A.,et al. Interfacial charge transfer anisotropy in polycrystalline lead iodide perovskite films[J]. Journal of Physical Chemistry Letters,2015,6(8):1396-1402.
APA Yin J..,Cortecchia D..,Krishna A..,Chen S..,Mathews N..,...&Soci C..(2015).Interfacial charge transfer anisotropy in polycrystalline lead iodide perovskite films.Journal of Physical Chemistry Letters,6(8),1396-1402.
MLA Yin J.,et al."Interfacial charge transfer anisotropy in polycrystalline lead iodide perovskite films".Journal of Physical Chemistry Letters 6.8(2015):1396-1402.
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