Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach.

Rafael Gómez-Bombarelli,Jorge Aguilera-Iparraguirre,Timothy D. Hirzel,David K. Duvenaud,Dougal Maclaurin,Martin A. Blood-Forsythe,Hyun Sik Chae,Markus Einzinger,Dong-Gwang Ha,Tony Wu,Georgios Markopoulos,Soonok Jeon,Ho Suk Kang,Hiroshi Miyazaki,Masaki Numata,Sunghan Kim,Wenliang Huang,Seong Ik Hong,Marc A. Baldo,Ryan P. Adams,Alán Aspuru-Guzik

Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach.

2016

A high-throughput virtual screening approach is used to select molecules with efficient, thermally activated delayed fluorescence. The good performance of several selected emitters in organic LED applications has also been confirmed experimentally.

Keywords:

Materials science
Theoretical chemistry
Virtual screening
Nanotechnology
Molecule
Electronics
Throughput
OLED
electronic materials
Fluorescence

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