Fraunhofer-Gesellschaft

Publica

Hier finden Sie wissenschaftliche Publikationen aus den Fraunhofer-Instituten.
2015In situ high temperature X-ray diffraction, transmission electron microscopy and theoretical modeling for the formation of WO3 crystallites
Pokhrel, S.; Birkenstock, J.; Dianat, A.; Zimmermann, J.; Schowalter, M.; Rosenauer, A.; Ciacchi, L.C.; Mädler, L.
Journal Article
2014DFT study of reaction processes of methane combustion on PdO(1 0 0)
Dianat, A.; Seriani, N.; Ciacchi, L.C.; Bobeth, M.; Cuniberti, G.
Journal Article
2013Label-free biosensing with single-molecule force spectroscopy
Wei, G.; Steckbeck, S.; Köppen, S.; Ciacchi, L.C.
Journal Article
2013Label-free molecular detection with capped carbon nanotubes
Koleini, M.; Ciacchi, L.C.
Journal Article
2012Ab initio derived force-field parameters for molecular dynamics simulations of deprotonated amorphous-SiO 2/water interfaces
Butenuth, A.; Moras, G.; Schneider, J.; Koleini, M.; Köppen, S.; Meißner, R.; Wright, L.B.; Walsh, T.R.; Ciacchi, L.C.
Journal Article
2012Adhesion mechanisms of the contact interface of TiO2 nanoparticles in films and aggregates
Salameh, S.; Schneider, J.; Laube, J.; Alessandrini, A.; Facci, P.; Seo, J.W.; Ciacchi, L.C.; Madler, L.
Journal Article
2012Atomistic simulations of the ZnO(1(2)over-bar10)/water interface: A comparison between first-principles, tight-binding, and empirical methods
Holthaus, S.G.; Koppen, S.; Frauenheim, T.; Ciacchi, L.C.
Journal Article
2011A classical potential to model the adsorption of biological molecules on oxidized titanium surfaces
Schneider, J.; Ciacchi, L.C.
Journal Article
2011Electronic transport in natively oxidized silicon nanowires
Koleini, M.; Ciacchi, L.C.; Fernandez-Serra, M.V.
Journal Article
2010Atomically smooth stress-corrosion cleavage of a hydrogen-implanted crystal
Moras, G.; Ciacchi, L.C.; Elsässer, C.; Gumbsch, P.; Vita, A. de
Journal Article
2010First principles and classical modeling of the oxidized titanium (0001) surface
Schneider, J.; Ciacchi, L.C.
Journal Article
2010Mechanisms of initial oxidation of the Co(0001) and Cr(110) surfaces
Zimmermann, J.; Ciacchi, L.C.
Journal Article
2010Origin of the selective Cr oxidation in CoCr alloy surfaces
Zimmermann, J.; Ciacchi, L.C.
Journal Article
2009Atomic-level studies of molecular self-assembly on metallic surfaces
Tomba, G.; Ciacchi, L.C.; Vita, A. de
Journal Article
2009Density functional theory study of Fe(II) adsorption and oxidation on goethite surfaces
Russell, B.; Payne, M.; Ciacchi, L.C.
Journal Article
2009Dissociative adsorption of methane on surface oxide structures of pd-pt alloys
Dianat, A.; Seriani, N.; Ciacchi, L.C.; Pompe, W.; Cuniberti, G.; Bobeth, M.
Journal Article
2009Multiscale mechanics modeling of direct silicon wafer bonding
Kubair, D.V.; Cole, D.J.; Ciacchi, L.C.; Spearing, S.M.
Journal Article
2009Vacancy segregation in the initial oxidation stages of the TiN(100) surface
Zimmermann, J.; Finnis, M.W.; Ciacchi, L.C.
Journal Article
2009Water structuring and collagen adsorption at hydrophilic and hydrophobic silicon surfaces
Cole, D.J.; Payne, M.C.; Ciacchi, L.C.
Journal Article
2008DFT modelling of oxygen adsorption on CoCr surfaces
Zimmermann, J.; Ciacchi, L.C.
Conference Paper
2007Development of a classical force field for the oxidized Si surface
Cole, D.J.; Payne, M.C.; Csanyi, G.; Spearing, S.M.; Ciacchi, L.C.
Journal Article
2007Modelling (100) hydrogen-induced platelets in silicon with a multi-scale molecular dynamics approach
Moras, G.; Ciacchi, L.C.; Csanyi, G.; Vita, A. de
Conference Paper
2007Structure and energetics of diphenylalanine self-assembling on Cu(110)
Tomba, G.; Lingenfelder, M.; Costantini, G.; Kern, K.; Klappenberger, F.; Barth, J.V.; Ciacchi, L.C.; Vita, A. de
Journal Article