Fig. 1: Experimental database of HOMO and LUMO energies. | npj Computational Materials

Fig. 1: Experimental database of HOMO and LUMO energies.

From: Deep learning for development of organic optoelectronic devices: efficient prescreening of hosts and emitters in deep-blue fluorescent OLEDs

Fig. 1

a Distributions of HOMO and LUMO energies (EHOMO and ELUMO) of molecules in our experimental database. The number of datapoints (N) is indicated. b Histogram of solvents (CH2Cl2: dichloromethane, CH3CN: acetonitrile, THF: tetrahydrofuran, DMF: N, N-dimethylformamide, ODCB: 1,2-dichlorobenzene, PhCN: benzonitrile, and EtOH: ethanol). c Distributions of the molecular weights of molecules in the QM9 database (in red) and our experimental database (in blue). d Plot of the bandgap (Eg) vs. the transition energy from our experimental database.

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