How machine learning can help select capping layers to suppress perovskite degradation

Noor Titan Putri Hartono, Janak Thapa, Armi Tiihonen, Felipe Oviedo, Clio Batali, Jason J. Yoo, Zhe Liu, Ruipeng Li, David Fuertes Marrón, Moungi G. Bawendi, Tonio Buonassisi () and Shijing Sun ()
Additional contact information
Noor Titan Putri Hartono: Massachusetts Institute of Technology
Janak Thapa: Massachusetts Institute of Technology
Armi Tiihonen: Massachusetts Institute of Technology
Felipe Oviedo: Massachusetts Institute of Technology
Clio Batali: Massachusetts Institute of Technology
Jason J. Yoo: Massachusetts Institute of Technology
Zhe Liu: Massachusetts Institute of Technology
Ruipeng Li: Brookhaven National Laboratory
David Fuertes Marrón: Massachusetts Institute of Technology
Moungi G. Bawendi: Massachusetts Institute of Technology
Tonio Buonassisi: Massachusetts Institute of Technology
Shijing Sun: Massachusetts Institute of Technology

Nature Communications, 2020, vol. 11, issue 1, 1-9

Abstract: Abstract Environmental stability of perovskite solar cells (PSCs) has been improved by trial-and-error exploration of thin low-dimensional (LD) perovskite deposited on top of the perovskite absorber, called the capping layer. In this study, a machine-learning framework is presented to optimize this layer. We featurize 21 organic halide salts, apply them as capping layers onto methylammonium lead iodide (MAPbI3) films, age them under accelerated conditions, and determine features governing stability using supervised machine learning and Shapley values. We find that organic molecules’ low number of hydrogen-bonding donors and small topological polar surface area correlate with increased MAPbI3 film stability. The top performing organic halide, phenyltriethylammonium iodide (PTEAI), successfully extends the MAPbI3 stability lifetime by 4 ± 2 times over bare MAPbI3 and 1.3 ± 0.3 times over state-of-the-art octylammonium bromide (OABr). Through characterization, we find that this capping layer stabilizes the photoactive layer by changing the surface chemistry and suppressing methylammonium loss.

Date: 2020
References: Add references at CitEc
Citations: View citations in EconPapers (1)

Downloads: (external link)
https://www.nature.com/articles/s41467-020-17945-4 Abstract (text/html)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:11:y:2020:i:1:d:10.1038_s41467-020-17945-4

Ordering information: This journal article can be ordered from
https://www.nature.com/ncomms/

DOI: 10.1038/s41467-020-17945-4

Access Statistics for this article

Nature Communications is currently edited by Nathalie Le Bot, Enda Bergin and Fiona Gillespie

More articles in Nature Communications from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().