Hier finden Sie wissenschaftliche Publikationen aus den Fraunhofer-Instituten.
2021A mechanochromic donor-acceptor torsional spring
Raisch, M.; Maftuhin, W.; Walter, M.; Sommer, M.
Journal Article
2020Berechnungen katalytisch relevanter Eigenschaften atomarer Defekte in Perowskit-Anodenmaterialien für Festoxid-Elektrolysezellen. Abschlussbericht V1036/2020
Mutter, D.; Urban, D.; Elsässer, C.
2019Interplay of charge-transfer and Mott-Hubbard physics approached by an efficient combination of self-interaction correction and dynamical mean-field theory
Lechermann, F.; Körner, W.; Urban, D.F.; Elsässer, C.
Journal Article
2018Tuning intermolecular interaction between lignin and carbon nanotubes in fiber composites - a combined experimental and ab-initio modeling study
Badorrek, J.; Walter, M.; Laborie, M.-P.
Journal Article
2016Fluorine-terminated diamond surfaces as dense dipole lattices: The electrostatic origin of polar hydrophobicity
Mayrhofer, L.; Moras, G.; Mulakaluri, N.; Rajagopalan, S.; Stevens, P.A.; Moseler, M.
Journal Article
2015Atomistic aspects of fracture
Bitzek, E.; Kermode, J.R.; Gumbsch, P.
Journal Article
2015Electrospun black titania nanofibers: Influence of hydrogen plasma-induced disorder on the electronic structure and photoelectrochemical performance
Lepcha, A.; Maccato, C.; Mettenbörger, A.; Andreu, T.; Mayrhofer, L.; Walter, M.; Olthof, S.; Ruoko, T.P.; Klein, A.; Moseler, M.; Meerholz, K.; Morante, J.R.; Barreca, D.; Mathur, S.
Journal Article
2012Nanostructure, excitations, and thermoelectric properties of Bi2Te3-based nanomaterials
Aabdin, Z.; Peranio, N.; Eibl, O.; Töllner, W.; Nielsch, K.; Bessas, D.; Hermann, R.P.; Winkler, M.; König, J.; Böttner, H.; Pacheco, V.; Schmidt, J.; Hashibon, A.; Elsässer, C.
Journal Article
2012Oxidation of magnesia-supported Pd30 nanoclusters and catalyzed CO combustion: Size-selected experiments and first-principles theory
Yoon, B.; Landman, U.; Habibpour, V.; Harding, C.; Kunz, S.; Heiz, U.; Moseler, M.; Walter, M.
Journal Article
2012Oxidation state and symmetry of magnesia-supported Pd13Ox nanocatalysts influence activation barriers of CO oxidation
Moseler, M.; Walter, M.; Yoon, B.; Landman, U.; Habibpour, V.; Harding, C.; Kunz, S.; Heiz, U.
Journal Article
2010Werkstofftrends: Werkstoffsimulation mittels Dichtefunktionaltheorie
Reschke, S.; Kohlhoff, J.; Grüne, M.
Journal Article
2008First-principles density functional theory study of phase transformation in NbCr2 and TaCr2
Vedmedenko, O.; Rösch, F.; Elsässer, C.
Journal Article
2007First-principles study of thermodynamical and mechanical stabilities of thin copper film on tantalum
Hashibon, A.; Elsässer, C.; Mishin, Y.; Gumbsch, P.
Journal Article
2006Quantum mechanical studies of boron clustering in silicon
Deák, P.; Gali, A.; Pichler, P.
Book Article
2004Quantum mechanical studies of boron clustering in silicon
Deák, P.; Gali, A.; Pichler, P.; Ryssel, H.
Conference Paper
1998The behaviour of the Lee-McClellan algorithms for the signal reconstruction
Boche, H.; Protzmann, M.
Conference Paper
1998Hochleistungsorganisation bei einfachem Entgeltmodell - Erfahrungen mit kundennaher Teamarbeit
Roßberg, U.; Hüser, M.
Conference Paper