Thomas Frauenheim

Latest

• Revealing generation, migration, and dissociation of electron-hole pairs and current emergence in an organic photovoltaic cell
• Electric Field Tunable Ultrafast Interlayer Charge Transfer in Graphene/WS2 Heterostructure
• The spin-orbit interaction controls photoinduced interfacial electron transfer in fullereneperovskite heterojunctions: C60 versus C70
• Coherent real-space charge transport across a donor-acceptor interface mediated by vibronic couplings
• Quantum mechanical modeling the emission pattern and polarization of nanoscale light emitting diodes
• Toward rational design of catalysts supported on a topological insulator substrate
• Atomic level modeling of extremely thin silicon-on-insulator MOSFETs including the silicon dioxide: Part I – Electronic Structure
• Time-dependent versus static quantum transport simulations beyond linear response
• An efficient method for quantum transport simulations in the time domain
• Theoretical prediction of topological insulators in thallium-based III-V-VI2 ternary chalcogenides
• Local vibrational excitation through extended electronic states at a germanium surface
• Comment on 'Valence surface electronic states on Ge(001)'
• Linear-scaling time-dependent density-functional tight-binding method for absorption spectra of large systems