Selected Publications and Talks
Computational Materials Design (CM)
A. Nematollahi, J. von Pezold, J. Neugebauer, and D. Raabe, "Thermodynamics of carbon solubility in ferrite and vacancy formation in cementite in strained pearlite," Acta Materialia 61 (5), 1773-1784 (2013).
J. Neugebauer and T. Hickel, "Density functional theory in materials science," Wiley Interdisciplinary Reviews-Computational Molecular Science 3 (5), 438-448 (2013).
M. Todorova and J. Neugebauer, "Extending the concept of semiconductor defect chemistry to electrochemistry", (2013).
J. Neugebauer, "Materials design based on predictive ab initio thermodynamics", (2013).
Interface Chemistry and Surface Engineering (GO)
S. Nayak, P. U. Biedermann, M. Stratmann, and A. Erbe, "A mechanistic study of the electrochemical oxygen reduction on the model semiconductor n-Ge(100) by ATR-IR and DFT," Physical Chemistry Chemical Physics 15 (16), 5771-5781 (2013).
Stefan Evers and Michael Rohwerder, "The hydrogen electrode in the “dry”: A Kelvin probe approach to measuring hydrogen in metals," Electrochemistry Communications 24, 85-88 (2012).
Michael Rohwerder, "Electrochemistry of metal surfaces under nanoscopic electrolyte layers", (2013).
Karl Johann Jakob Mayrhofer, "Stability of electrocatalysts on the nanoscale – Identical-location transmission electron microscopy", (2013).
Microstructure Physics and Alloy Design (MA)
E. A. Marquis, P. Choi, F. Danoix, K. Kruska, S. Lozano-Perez, D. Raabe, and C. A. Williams, "New insights into the atomic-scale structures and behavior of steels," Microscopy Today 20, 44-48 (2012).
O. Cojocaru-Mirédin, P. Choi, R. Wuerz, and D. Raabe, "Exploring the p-n junction region in Cu(In,Ga)Se2 thin-film solar cells at the nanometer-scale," Applied Physics Letters 101 (18), 181603-1-181603-5 (2012).
Dierk Raabe, Yujiao Li, Dirk Ponge, Stefanie Sandlöbes, Pyuck-Pa Choi, Tilmann Hickel, Reiner Kirchheim, and Jörg Neugebauer, "Nanoscale Transformations in Steels", (2013).
Julio Millán, Dirk Ponge, Ivan Povstugar, Stefanie Sandlöbes, Pyuck-Pa Choi, Stefan Zaefferer, Seyed Masood Hafez Haghighat, Gunther F. Eggeler, Gholamali Ali Nematollahi, Michael Herbig, Reiner Kirchheim, Gerhard Inden, Jörg Neugebauer, and Dierk Raabe, "Scale-hoping approaches in desiging complex alloys", (2013).
Structure and Nano-/Micromechanics of Materials (SN)
Z. Zhang, H. Li, R. Daniel, C. Mitterer, and G. Dehm, "Insights into the atomic and electronic structure triggered by ordered nitrogen vacancies in CrN," Physical Review B 87 (1), 014104-1-014104-9 (2013).
Gerhard Dehm, Peter Julian Imrich, Christoph Kirchlechner, Martin Smolka, Bo Yang, and Christian Motz, "In situ micro- and nanomechanical electron microscopy studies of grain boundaries in Cu", (2012).
Gerhard Dehm, Christoph Kirchlechner, Peter Julian Imrich, Martin Smolka, Alexander Christoph Wimmer, Bo Yang, and Zaoli Zhang, "Plasticity and Fracture at Small Length Scales: From Single Crystals Towards Interfaces", (2013).