Dresden 2026 – scientific programme

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DS: Fachverband Dünne Schichten

DS 20: Poster

DS 20.45: Poster

Thursday, March 12, 2026, 18:30–20:30, P2

Wannier-orbital Transient Polaron Localisation for electron and spin transport in organic semiconductors — •Nisarg Trivedi, Maximilian F.X. Dorfner, Michel Panhans, and Frank Ortmann — TUM School of Natural Sciences and Atomistic Modeling Center, Munich Data Science Institute, Technische Universität München

Transport in organic semiconductors is governed by a complex interplay between comparable energy scales of electronic coupling, thermal disorder, and electron-vibration interactions, making it difficult to describe within a unified framework. Building on the hybrid Transient Polaron Localization (TPL) model proposed by Hutsch et al. (npj Comput. Mater. 8, 228, 2022), we introduce an efficient extension using Wannier orbitals as a localized and orthonormal basis, enabling accurate treatment of charge transport in extended pi -conjugated systems which also allows us to generalise the framework for spin transport.

Keywords: Organic semiconductors; Wannier orbitals; Transport