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Hybridization of Atomic Orbitals I
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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Martin Oehzelt1, Kouki Akaike2, Norbert Koch1
1Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Bereich Solarenergieforschung, Albert-Einstein-Straße 15, 12489 Berlin, Germany. ; Institut für Physik, Humboldt-Universität zu Berlin, Newtonstraße 15, 12489 Berlin, Germany.
A new theoretical framework accurately predicts energy-level alignment in organic electronic devices. This breakthrough addresses limitations in previous models, paving the way for improved organic semiconductor interfaces and enhanced device performance.
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