213 citations · 272 across the 5 of their papers we have counts for
5 papers
Self-Assembling Oxide Catalyst for Electrochemical Water Splitting
Daniel S. Bick, Andreas Kindsmueller, Deok-Yong Cho +8
Renewable energy conversion and storage, and greenhouse gas emission-free technologies are within the primary tasks and challenges for the society. Hydrogen fuel, produced by alkal…
A simple many-body based screening optimization and mixing ansatz for improvement of GW/BSE excitation energies of molecular systems
Vafa Ziaei, Thomas Bredow
We propose a simple many-body based screening mixing strategy to considerably enhance the performance of the Bethe-Salpeter (BS) approach for prediction of excitation energies of m…
Color centers in NaCl by hybrid functionals
Wei Chen, Christoph Tegenkamp, Herbert Pfnür +1
We present in this work the electronic structure and transition energies (both thermodynamic and optical) of Cl vacancies in NaCl by hybrid density functionals. The underestimated…
Anomalous molecular orbital variation upon adsorption on wide band gap insulator
Wei Chen, Christoph Tegenkamp, Herbert Pfnür +1
It is commonly believed that organic molecules are physisorbed on the ideal non-polar surfaces of wide band gap insulators with limited variation of the electronic properties of th…
Organometallic Benzene-Vanadium Wire: One-Dimensional Half-Metallic Ferromagnet
Volodymyr V. Maslyuk, Alexei Bagrets, Thomas Bredow +1
Using density functional theory we have performed theoretical investigations of the electronic properties of a free-standing one-dimensional organometallic vanadium-benzene wire. T…