Scientific Publications

Journal Article (127)

1.
Journal Article
Holec, D.; Friák, M.; Dlouhy, A.; Neugebauer, J.: Ab initio study of pressure stabilized NiTi allotropes: Pressure-induced transformations and hysteresis loops. Physical Review B 84, pp. 224119-1 - 224119-8 (2011)
2.
Journal Article
Grabowski, B.; Söderlind, P.; Hickel, T.; Neugebauer, J.: Temperature-driven phase transitions from first principles including all relevant excitations: The fcc-to-bcc transition in Ca. Physical Review B 84 (21), pp. 214107-1 - 214107-20 (2011)
3.
Journal Article
Liu, H.; He, Y.; Swaminathan, S.; Rohwerder, M.; Li, L.: Effect of dew point on the surface selective oxidation and subsurface microstructure of TRIP-aided steel. Surface and Coatings Technology 206 (6), pp. 1237 - 1243 (2011)
4.
Journal Article
Fehr, M.; Schnegg, A.; Rech, B.; Lips, K.; Astakhov, O.; Finger, F.; Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Bittl, R. et al.; Teutloff, C.: Combined multifrequency EPR and DFT study of dangling bonds in a-Si:H. Physical Review B 84, 245203, pp. 1 - 10 (2011)
5.
Journal Article
Klemm, S. O.; Topalov, A. A.; Laska, C. A.; Mayrhofer, K. J. J.: Coupling of a high throughput microelectrochemical cell with online multielemental trace analysis by ICP-MS. Electrochemistry Communications 13 (12), pp. 1533 - 1535 (2011)
6.
Journal Article
Senöz, C.; Evers, S.; Stratmann, M.; Rohwerder, M.: Scanning Kelvin Probe as a highly sensitive tool for detecting hydrogen permeation with high local resolution. Electrochemistry Communucations 13 (12), pp. 1542 - 1545 (2011)
7.
Journal Article
Senöz, C.; Rohwerder, M.: Scanning Kelvin probe force microscopy for the in situ observation of the direct interaction between active head and intermetallic particles in filiform corrosion on aluminium alloy. Electrochimica Acta 56 (26), pp. 9588 - 9595 (2011)
8.
Journal Article
Mitra, C.; Lange, B.; Freysoldt, C.: Quasiparticle band offsets of semiconductor heterojunctions from a generalized marker method. Physical Review B 84 (19), 193304, pp. 1 - 4 (2011)
9.
Journal Article
Topalov, A. A.; Katsounaros, I.; Meier, J. C.; Klemm, S. O.; Mayrhofer, K. J. J.: Development and integration of a LabVIEW-based modular architecture for automated execution of electrochemical catalyst testing. Review of Scientific Instruments 82 (11), pp. 114103-1 - 114103-5 (2011)
10.
Journal Article
Pareek, A.; Borodin, S.; Bashir, A.; Ankah, G. N.; Keil, P.; Eckstein, G. A.; Rohwerder, M.; Stratmann, M.; Gründer, Y.; Renner, F. U.: Initiation and inhibition of dealloying of single crystalline Cu3Au (111) surfaces. Journal of the American Chemical Society 133 (45), pp. 18264 - 18271 (2011)
11.
Journal Article
Schlögl, K.; Mayrhofer, K. J. J.; Hanzlik, M.; Arenz, M.: Identical-location TEM investigations of Pt/C electrocatalyst degradation at elevated temperatures. Journal of Electroanalytical Chemistry 662 (2), pp. 355 - 360 (2011)
12.
Journal Article
Siewert, M.; Gruner, M. E.; Dannenberg, A.; Chakrabarti, A.; Herper, H. C.; Wuttig, M.; Barman, S. R.; Singh, S.; Al-Zubi, A.; Hickel, T. et al.; Neugebauer, J.; Gillessen, M.; Dronskowski, R.; Entel, P.: Designing shape-memory Heusler alloys from first-principles. Applied Physics Letters 99, pp. 191904-1 - 191904-3 (2011)
13.
Journal Article
Nesselberger, M.; Ashton, S.; Meier, J. C.; Katsounaros, I.; Mayrhofer, K. J. J.; Arenz, M.: The particle size effect on the oxygen reduction reaction activity of Pt catalysts: Influence of electrolyte and relation to single crystal models. Journal of the American Chemical Society 133 (43), pp. 17428 - 17433 (2011)
14.
Journal Article
Du, Y. J. A.; Ismer, L.; Rogal, J.; Hickel, T.; Neugebauer, J.; Drautz, R.: First-principles study on the interaction of H interstitials with grain boundaries in alpha- and gamma-Fe. Physical Review B 84 (14), pp. 144121-1 - 144121-13 (2011)
15.
Journal Article
Calcagnotto, M.; Adachi, Y.; Ponge, D.; Raabe, D.: Deformation and fracture mechanisms in fine- and ultrafine-grained ferrite/martensite dual-phase steels and the effect of aging. Acta Materialia 59 (2), pp. 658 - 670 (2011)
16.
Journal Article
Friák, M.; Hickel, T.; Grabowski, B.; Lymperakis, L.; Udyansky, A.; Dick, A.; Ma, D.; Roters, F.; Zhu, L.-F.; Schlieter, A. et al.; Kühn, U.; Ebrahimi, Z.; Lebensohn, R. A.; Holec, D.; Eckert, J.; Emmerich, H.; Raabe, D.; Neugebauer, J.: Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications. European Physics Journal Plus 126, pp. 101-1 - 101-22 (2011)
17.
Journal Article
Raabe, D.: Lightweight automotive construction (1): Steel research ensures Competitiveness of the Industry. Application-oriented basic research, prepares the way of the lightweight Automobile. Stahl und Eisen 131 (10), pp. 88 - 90 (2011)
18.
Journal Article
Auinger, M.; Naraparaju, R.; Christ, H. J.; Rohwerder, M.: Modelling high temperature oxidation in iron-chromium systems: Combined kinetic and thermodynamic calculation of the long-term behaviour and experimental verification. Oxidation of Metals 76 (3-4), pp. 247 - 258 (2011)
19.
Journal Article
Kundin, J.; Raabe, D.; Emmerich, H.: A phase-field model for incoherent martensitic transformations including plastic accommodation processes in the austenite. Journal of the Mechanics and Physics of Solids 59 (10), pp. 2082 - 2102 (2011)
20.
Journal Article
Leng, A.; Streckel, H.; Stratmann, M.: Corrigendum to ‘‘The delamination of polymeric coatings from steel. Part 2: First stage of delamination, effect of type and concentration of cations on delamination, chemical analysis of the interface’’ [Corros. Sci. 41 (1998) 579–597]. Corrosion Science 53 (10), p. 3455 - 3455 (2011)
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