368 citations
- Technical University of MunichDE155 papers
- Munich Center for Quantum Science and TechnologyDE34 papers
- University of RegensburgDE21 papers
- Friedrich Schiller University JenaDE15 papers
- Ludwig-Maximilians-Universität MünchenDE15 papers
- Nanosystems Initiative MunichDE15 papers
- Bavarian Academy of Sciences and HumanitiesDE13 papers
- National Institute for Materials ScienceJP12 papers
- University of AugsburgDE12 papers
- Center for NanoScienceDE11 papers
- Centre National de la Recherche ScientifiqueFR11 papers
- Technische Universität BerlinDE10 papers
6 papers · 1 filter
A General and Transferable Local Hybrid Functional for Electronic Structure Theory and Many-Fermion Approaches
Christof Holzer, Yannick J. Franzke
Density functional theory has become the workhorse of quantum physics, chemistry, and materials science. Within these fields, a broad range of applications needs to be covered. The…
Current density functional framework for spin-orbit coupling: Extension to periodic systems
Yannick J. Franzke, Christof Holzer
Spin-orbit coupling induces a current density in the ground state, which consequently requires a generalization for meta-generalized gradient approximations. That is, the exchange-…
Efficient Treatment of Relativistic Effects with Periodic Density Functional Methods: Energies, Gradients, and Stress Tensors
Yannick J. Franzke, Werner M. Schosser, Fabian Pauly
The implementation of an efficient self-consistent field (SCF) method including both scalar relativistic effects and spin-orbit interaction in density functional theory (DFT) is pr…
Tailoring the Acidity of Liquid Media with Ionizing Radiation -- Rethinking the Acid-Base Correlation Beyond pH
Birk Fritsch, Andreas Körner, Thaïs Couasnon +6
Advanced in situ techniques based on electrons and X-rays are increasingly used to gain insights into fundamental materials dynamics in liquid media. Yet, ionizing radiation change…
The spatial collection efficiency of photogenerated charge carriers in photovoltaic and photoelectrochemical devices
Gideon Segev, Hen Dotan, David S. Ellis +7
The spatial collection efficiency portrays the driving forces and loss mechanisms in photovoltaic and photoelectrochemical devices. It is defined as the fraction of photogenerated…
TiO2 nanotubes: N-ion implantation at low-dose provides noble-metal-free photocatalytic H2-evolution activity
Xuemei Zhou, Volker Häublein, Ning Liu +7
Low-dose nitrogen implantation induces in TiO2 nanotubes a co-catalytic activity for photocatalytic H2-evolution. The use of an ion implantation process leads to a N-implanted zone…