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381 Publications
2015 | Journal Article | LibreCat-ID: 13505
H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W. G. Schmidt, and E. Rauls, “Structure formation in diindenoperylene thin films on copper(111),” Physical Chemistry Chemical Physics, vol. 17, pp. 8776–8783, 2015, doi: 10.1039/c4cp05271d.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13506
A. Sanson et al., “Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals,” Physical Review B, vol. 91, 2015, doi: 10.1103/physrevb.91.094109.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13500
A. Lücke, W. G. Schmidt, E. Rauls, F. Ortmann, and U. Gerstmann, “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT,” The Journal of Physical Chemistry B, vol. 119, pp. 6481–6491, 2015, doi: 10.1021/acs.jpcb.5b03615.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13503
H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W. G. Schmidt, and E. Rauls, “Structure formation in diindenoperylene thin films on copper(111),” Physical Chemistry Chemical Physics, vol. 17, pp. 8776–8783, 2015, doi: 10.1039/c4cp05271d.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13499
P. Thissen et al., “Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol,” The Journal of Physical Chemistry C, vol. 119, pp. 16947–16953, 2015, doi: 10.1021/acs.jpcc.5b03816.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13507
M. Landmann, E. Rauls, W. G. Schmidt, M. D. Neumann, E. Speiser, and N. Esser, “GaNm-plane: Atomic structure, surface bands, and optical response,” Physical Review B, vol. 91, 2015, doi: 10.1103/physrevb.91.035302.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13498
M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, and W. G. Schmidt, “The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†,” Journal of Computational Chemistry, vol. 36, no. 21–22, pp. 1672–1685, 2015, doi: 10.1002/jcc.23983.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13497
A. Baghbanpourasl et al., “Water adsorbate influence on the Cu(110) surface optical response,” Surface Science, vol. 641, pp. 231–236, 2015, doi: 10.1016/j.susc.2015.07.020.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13818
A. Neuba, M. Rohrmüller, R. Hölscher, W. G. Schmidt, and G. Henkel, “A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry,” Inorganica Chimica Acta, vol. 430, pp. 225–238, 2015, doi: 10.1016/j.ica.2015.03.015.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 10036
R. Hölscher, W. G. Schmidt, and S. Sanna, “Modeling LiNbO3 Surfaces at Ambient Conditions,” The Journal of Physical Chemistry C, pp. 10213–10220, 2014, doi: 10.1021/jp502936f.
LibreCat
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2014 | Journal Article | LibreCat-ID: 13510
A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W. G. Schmidt, and S. Herres-Pawlis, “Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II),” Journal of Computational Chemistry, vol. 35, no. 29–30, pp. 2146–2161, 2014, doi: 10.1002/jcc.23740.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13509
D. M. Oh, S. Wippermann, W. G. Schmidt, and H. W. Yeom, “Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations,” Physical Review B, vol. 90, no. 15, 2014, doi: 10.1103/physrevb.90.155432.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13511
M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, and W. G. Schmidt, “The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides,” Journal of Physics: Condensed Matter, vol. 26, Art. no. 253201, 2014, doi: 10.1088/0953-8984/26/25/253201.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13513
U. Gerstmann, N. J. Vollmers, A. Lücke, M. Babilon, and W. G. Schmidt, “Rashba splitting and relativistic energy shifts in In/Si(111) nanowires,” Physical Review B, vol. 89, no. 16, 2014, doi: 10.1103/physrevb.89.165431.
LibreCat
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2014 | Journal Article | LibreCat-ID: 13516
S. Sanna, W. G. Schmidt, S. Rode, S. Klassen, and A. Kühnle, “Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory,” Physical Review B, vol. 89, no. 7, 2014, doi: 10.1103/physrevb.89.075403.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13514
Y. Li, W. G. Schmidt, and S. Sanna, “IntrinsicLiNbO3point defects from hybrid density functional calculations,” Physical Review B, vol. 89, no. 9, 2014, doi: 10.1103/physrevb.89.094111.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13512
S. Sanna, W. G. Schmidt, and P. Thissen, “Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001),” The Journal of Physical Chemistry C, vol. 118, pp. 8007–8013, 2014, doi: 10.1021/jp500170t.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13515
S. Sanna, R. Hölscher, and W. G. Schmidt, “Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge,” Applied Surface Science, pp. 70–78, 2014, doi: 10.1016/j.apsusc.2014.01.104.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13508
Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, and W. G. Schmidt, “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface,” The Journal of Physical Chemistry C, vol. 118, pp. 29911–29918, 2014, doi: 10.1021/jp509663s.
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