Prof. Dr. Matthias Scheffler
Research interests
Kinetic Monte Carlo simulation, ab initio DFT, electronic structure theory, density-functional theory, first-principles statistical mechanics
Research Fields in UniCat
Selection of research projects
- Self-consistent calculations of the electronic structure
- Theoretical studies of magnetic properties
UniCat publications
| 698 Temperature-dependent morphology, magnetic and optical properties of Li-doped MgO P. Myrach, N. Nilius, S. V. Levchenko, A. Gonchar, T. Risse, K. P. Dinse, L. A. Boatner, W. Frandsen, R. Horn, H. J. Freund, R. Schlögl, M. Scheffler ChemCatChem 2010, 2, 854 - 862, |
| 695 CO oxidation as a prototypical reaction for heterogeneous processes H. J. Freund, G. Meijer, M. Scheffler, R. Schlögl, M. Wolf Angewandte Chemie International Edition 2011, 50, 10064 - 10094, |
| 664 A Critical Assessment of Li/MgO-Based Catalysts for the Oxidative Coupling of Methane. S. Arndt, G. Laugel, S. Levchenko, R. Horn, M. Baerns, M. Scheffler, R. Schlögl, R. Schomäcker Catalysis Reviews-Science and Engineering 2011, 53, 424 - 514, 10.1080/01614940.2011.613330 |
| 504 Temperature-Dependent Morphology, Magnetic and Optical Properties of Li-Doped MgO P. Myrach, N. Nilius, S. V. Levchenko, A. Gonchar, T. Risse, K. P. Dinse , L. Boatner, W. Frandsen, R. Horn, H. J. Freund, R. Schlögl, M. Scheffler ChemCatChem 2010, 2, 854 - 862, 10.1002/cctc.201000083 |
| 243 Theory of electron-phonon interactions on nanoscales: semiconductor surfaces and two dimensional electron gases N. Bücking, S. Butscher, M. Richter, C. Weber, S. Declair, M. Woerner, K. Reimann, P. Kratzer, M. Scheffler, A. Knorr Ultrafast phenomena in semiconductor and nanostructure materials (J-J. Song, K-T. Tsen, M. Betz, A.Y. Elezzabi - SPIE Society of Photo-Optical Instrumentation Engi) SPIE SPIE 2008, 0, 89209 - 89209, |
| 14 Linking density functional and density-matrix theory: Picosecond electron relaxation at the Si(100) surface N. Bücking, P. Kratzer, M. Scheffler, A. Knorr Physical Review B 2008, 77, 233305 - 233305, 10.1103/PhysRevB.77.233305 |
