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Akademický článek

Active Learning Accelerates Design and Optimization of Hole-Transporting Materials for Organic Electronics

Autor: Hadi Abroshan, H. Shaun Kwak, Yuling An, Christopher Brown, Anand Chandrasekaran, Paul Winget, Mathew D. Halls

Publikováno v: Frontiers in Chemistry, Vol 9 (2022)

Data-driven methods are receiving increasing attention to accelerate materials design and discovery for organic light-emitting diodes (OLEDs). Machine learning (ML) has enabled high-throughput screening of materials properties to suggest new candidat

Externí odkaz: https://doaj.org/article/d4c36d13675c4d7dadb86e2818ce9771

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Molecular-Level Examination of Amorphous Solid Dispersion Dissolution

Autor: Mohammad Atif Faiz Afzal, Kristin Lehmkemper, Matthias Degenhardt, Paul Winget, Ekaterina Sobich, Thomas F. Hughes, Caroline M. Krauter, Samuel O. Kyeremateng, John C. Shelley, Teng Zhang, David J. Giesen, Andrea R. Browning

Publikováno v: Molecular Pharmaceutics. 18:3999-4014

Amorphous solid dispersions (ASDs) are commonly used to orally deliver small-molecule drugs that are poorly water-soluble. ASDs consist of drug molecules in the amorphous form which are dispersed in a hydrophilic polymer matrix. Producing a high-perf

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::72d33c82de6bd0c21c13f21e59450924
https://doi.org/10.1021/acs.molpharmaceut.1c00289

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Enhancing OLED outcoupling efficiency via atomistic-scale simulations

Autor: Hadi Abroshan, Mathew D. Halls, Paul Winget, Christopher Brown, H. Shaun Kwak

Publikováno v: Organic and Hybrid Light Emitting Materials and Devices XXV.

In this work, we describe an atomistic-scale modeling and simulation scheme to virtually screen both host materials and light emitters used in OLEDs while assessing molecular orientations in film. The work also demonstrates the ability to predict wav

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7ec0e19ecefcc9ef9c84e21622bc565a
https://doi.org/10.1117/12.2598154

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Chemical Stabilities of the Lowest Triplet State in Aryl Sulfones and Aryl Phosphine Oxides Relevant to OLED Applications

Autor: Stephen Barlow, Seth R. Marder, Minki Hong, Paul Winget, Annabelle Scarpaci, Xuyang He, Jean-Luc Brédas, Dongwook Kim, Huifang Li, Chad Risko, John S. Sears

Publikováno v: Chemistry of Materials. 31:1507-1519

Aryl sulfones and phosphine oxides are widely used as molecular building blocks for host materials in the emissive layers of organic light-emitting diodes. In this context, the chemical stability of such molecules in the triplet state is of paramount

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a07dd510ea378d6c25f05ba40fe6d7b9
https://doi.org/10.1021/acs.chemmater.8b04235

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