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Deep Learning for Additive Screening in Perovskite Light-Emitting Diodes
Nanjing Tech Univ NanjingTech, Peoples R China; Nanjing Tech Univ NanjingTech, Peoples R China.
Nanjing Tech Univ NanjingTech, Peoples R China; Nanjing Tech Univ NanjingTech, Peoples R China.
Nanjing Tech Univ NanjingTech, Peoples R China; Nanjing Tech Univ NanjingTech, Peoples R China.
Chengdu Spaceon Grp Co Ltd, Peoples R China.
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2022 (English)In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 61, no 37, article id e202209337Article in journal (Refereed) Published
Abstract [en]

Additive engineering with organic molecules is of critical importance for achieving high-performance perovskite optoelectronic devices. However, experimentally finding suitable additives is costly and time consuming, while conventional machine learning (ML) is difficult to predict accurately due to the limited experimental data available in this relatively new field. Here, we demonstrate a deep learning method that can predict the effectiveness of additives in perovskite light-emitting diodes (PeLEDs) with a high accuracy up to 96 % by using a small dataset of 132 molecules. This model can maximize the information of the molecules and significantly mitigate the duplicated problem that usually happened with previous models in ML for molecular screening. Very high efficiency PeLEDs with a peak external quantum efficiency up to 22.7 % can be achieved by using the predicated additive. Our work opens a new avenue for further boosting the performance of perovskite optoelectronic devices.

Place, publisher, year, edition, pages
WILEY-V C H VERLAG GMBH , 2022. Vol. 61, no 37, article id e202209337
Keywords [en]
Additive Engineering; Light-Emitting Diode; Machine Learning; Molecule Screening; Perovskite
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-187304DOI: 10.1002/anie.202209337ISI: 000835449500001PubMedID: 35856900OAI: oai:DiVA.org:liu-187304DiVA, id: diva2:1688236
Note

Funding Agencies|National Key R&D Program of China [2020YFA0709900]; National Science Fund for Distinguished Young Scholars [61725502]; National Natural Science Foundation of China [62134007, 61961160733, 62105266, 21601085]

Available from: 2022-08-18 Created: 2022-08-18 Last updated: 2023-04-06Bibliographically approved

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Xu, WeidongGao, Feng

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