5 papers
Charge Transport Framework for Crystalline pi-Conjugated Materials
Nisarg Trivedi, Maximilian F. X. Dorfner, Michel Panhans +1
Quantitative charge-transport modelling in crystalline pi-conjugated polymers requires an electronic representation that captures extended conjugation and material-specific electro…
Interplay between Electronic Structure, Chemical Bonding, and Lattice Symmetry in Bismuth Vanadate
Philip Schwinghammer, Franziska S. Hegner, Frederico P. Delgado +5
Bismuth vanadate (BiVO) is a prototypical oxide photocatalyst that occurs in both tetragonal and monoclinic scheelite phases with markedly different photocatalytic and photoele…
Ultrafast photo-thermoelectric currents in graphene junctions in the mid-infrared
Nina Pettinger, Michel Panhans, Johannes Schmuck +8
Graphene is widely recognized for its ultrafast and broadband photocurrent response, but whether the broadband ultrafast characteristics are preserved at mid-infrared wavelengths w…
Organic Hydrogen Sensors for Potential Use in Safety-Critical Environments
Annika Morgenstern, Lucas Viriato, Frank Ortmann +8
Accurate monitoring of the hydrogen concentration is critical for optimizing fuel cell performance, minimizing purge losses, and reducing long-term degradation. Conventional hydrog…
Evaluating First-Principles Electron-Phonon Couplings: Consistency Across Methods and Implementations
Konrad Merkel, Maximilian F. X. Dorfner, Manuel Engel +2
Electron-phonon coupling (EPC) is fundamental for understanding the behavior of molecules and crystals, influencing phenomena such as charge transport, energy transfer, phase trans…