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Choi, C. H.; Kim, M.; Kwon, H. C.; Cho, S. J.; Yun, S.; Kim, H.-T.; Mayrhofer, K. J. J.; Kim, H.; Choi, M.: Tuning selectivity of electrochemical reactions by atomically dispersed platinum catalyst. Nature Communications 7, 10922 (2016)

Sarakinos, K.; Greczynski, G.; Elofsson, V.; Magnfält, D.; Högberg, H.; Alling, B.: Theoretical and experimental study of metastable solid solutions and phase stability within the immiscible Ag–Mo binary system. Journal of Applied Physics 119 (9), 095303 (2016)

Gatalo, M.; Jovanovič, P.; Polymeros, G.; Grote, J.-P.; Pavlišič, A.; Ruiz-Zepeda, F.; Šelih, V. S. I.; Šala, M.; Hočevar, S. B.; Bele, M. et al.; Mayrhofer, K. J. J.; Hodnik, N.; Gaberšček, M.: Positive Effect of Surface Doping with Au on the Stability of Pt-Based Electrocatalysts. ACS Catalysis 6 (3), pp. 1630 - 1634 (2016)

Brands, D.; Balzani, D.; Scheunemann, L.; Schröder, J.; Richter, H.; Raabe, D.: Computational modeling of dual-phase steels based on representative three-dimensional microstructures obtained from EBSD data. Archive of Applied Mechanics 86 (3), pp. 575 - 598 (2016)

Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.; Perlado, J. M.; Marian, J.: Unraveling the temperature dependence of the yield strength in single-crystal tungsten using atomistically-informed crystal plasticity calcula- tions. International Journal of Plasticity 78, pp. 242 - 265 (2016)

Lopez-Galilea, I.; Koßmann, J.; Kostka, A.; Drautz, R.; Mújica Roncery, L.; Hammerschmidt, T.; Huth, S.; Theisen, W.: The thermal stability of topologically close-packed phases in the single-crystal Ni-base superalloy ERBO/1. Journal of Materials Science 51 (5), pp. 2653 - 2664 (2016)

Souza, F. M.; Padilha, A. F.; Gutiérrez-Urrutia, I.; Raabe, D.: Texture evolution in the Fe–30.5Mn–8.0Al–1.2C and Fe–30.5Mn–2.1Al–1.2C steels upon cold rolling. Revista Escola de Minas 69 (1), pp. 59 - 65 (2016)

Yao, M.; Dey, P.; Seol, J. B.; Choi, P.-P.; Herbig, M.; Marceau, R. K. W.; Hickel, T.; Neugebauer, J.; Raabe, D.: Combined atom probe tomography and density functional theory investigation of the Al off-stoichiometry of κ-carbides in an austenitic Fe–Mn–Al–C low density steel. Acta Materialia 106, pp. 229 - 238 (2016)

Thore, A.; Dahlqvist, M.; Alling, B.; Rosén, J. A.: Magnetic exchange interactions and critical temperature of the nanolaminate Mn₂GaC from first-principles supercell methods. Physical Review B 93 (5), 054432 (2016)

Tan, X.-D.; Xu, Y.-B.; Ponge, D.; Yang, X.-L.; Hu, Z.-P.; Peng, F.; Ju, X.-W.; Wu, D.; Raabe, D.: Effect of intercritical deformation on microstructure and mechanical properties of a low-silicon aluminum-added hot-rolled directly quenched and partitioned steel. Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing 656, pp. 200 - 215 (2016)

Tholander, C.; Birch, J.; Tasnádi, F.; Hultman, L.; Palisaitis, J.; Persson, P. O. Å.; Jensen, J. A. D.; Sandström, P. A.; Alling, B.; Žukauskaitė, A.: Ab initio calculations and experimental study of piezoelectric Y_xIn_1-xN thin films deposited using reactive magnetron sputter epitaxy. Acta Materialia 105, pp. 199 - 206 (2016)

Castelletto, V.; Kirkham, S.; Hamley, I. W.; Kowalczyk, R. M.; Rabe, M.; Reza, M.; Ruokolainen, J. T.: Self-Assembly of the Toll-Like Receptor Agonist Macrophage-Activating Lipopeptide MALP-2 and of Its Constituent Peptide. Biomacromolecules 17 (2), pp. 631 - 640 (2016)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Ab Initio Determined Phase Diagram of Clean and Solvated Muscovite Mica Surfaces. Langmuir 32 (4), pp. 1027 - 1033 (2016)

Borodin, S.; Vogel, D.; Swaminathan, S.; Rohwerder, M.: Direct In-Situ Investigation of Selective Surface Oxidation During Recrystallization Annealing of a Binary Model Alloy. Oxidation of Metals 85 (1-2), pp. 51 - 63 (2016)

Diehl, M.; Shanthraj, P.; Eisenlohr, P.; Roters, F.: Neighborhood influences on stress and strain partitioning in dual-phase microstructures. An investigation on synthetic polycrystals with a robust spectral-based numerical method. Meccanica 51 (2), pp. 429 - 441 (2016)

Pérez León, C.; Drees, H.; Wippermann, S. M.; Marz, M.; Hoffmann-Vogel, R.: Atomic-Scale Imaging of the Surface Dipole Distribution of Stepped Surfaces. The Journal of Physical Chemistry Letters 7 (3), pp. 426 - 430 (2016)

Prokopčáková, P.; Švec, M.; Palm, M.: Microstructural evolution and creep of Fe–Al–Ta alloys. International Journal of Materials Research 107 (5), pp. 396 - 405 (2016)

Körmann, F.; Ma, P.-W.; Dudarev, S. L.; Neugebauer, J.: Impact of magnetic fluctuations on lattice excitations in fcc nickel. Journal of Physics: Condensed Matter 28 (7), 076002 (2016)

Dandapani, V.; Tran, T. H.; Bashir, A.; Evers, S.; Rohwerder, M.: Hydrogen Permeation as a Tool for Quantitative Characterization of Oxygen Reduction Kinetics at Buried Metal-Coating Interfaces. Electrochimica Acta 189, pp. 111 - 117 (2016)

Dutta, B.; Çaklr, A.; Giacobbe, C.; Al-Zubi, A.; Hickel, T.; Acet, M.; Neugebauer, J.: Ab initio Prediction of Martensitic and Intermartensitic Phase Boundaries in Ni–Mn–Ga. Physical Review Letters 116 (2), 025503 (2016)