Sanna, Simone, Wolf Gero Schmidt, and Peter Thissen. “Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001).”https://doi.org/10.1021/jp500170t__The Journal of Physical Chemistry C 118 (2014): 8007–13.https://doi.org/10.1021/jp500170t .
LibreCat: /record/13512
DOI: 10.1021/jp500170t

Gerstmann, Uwe, N. J. Vollmers, A. Lücke, M. Babilon, and Wolf Gero Schmidt. “Rashba Splitting and Relativistic Energy Shifts in In/Si(111) Nanowires.”https://doi.org/10.1103/physrevb.89.165431__Physical Review B 89, no. 16 (2014).https://doi.org/10.1103/physrevb.89.165431 .
LibreCat: /record/13513
DOI: 10.1103/physrevb.89.165431

Li, Yanlu, Wolf Gero Schmidt, and S. Sanna. “IntrinsicLiNbO3point Defects from Hybrid Density Functional Calculations.”https://doi.org/10.1103/physrevb.89.094111__Physical Review B 89, no. 9 (2014).https://doi.org/10.1103/physrevb.89.094111 .
LibreCat: /record/13514
DOI: 10.1103/physrevb.89.094111

Sanna, S., R. Hölscher, and Wolf Gero Schmidt. “Temperature Dependent LiNbO3(0001): Surface Reconstruction and Surface Charge.”https://doi.org/10.1016/j.apsusc.2014.01.104__Applied Surface Science, 2014, 70–78.https://doi.org/10.1016/j.apsusc.2014.01.104 .
LibreCat: /record/13515
DOI: 10.1016/j.apsusc.2014.01.104

Sanna, S., Wolf Gero Schmidt, S. Rode, S. Klassen, and A. Kühnle. “Unraveling TheLiNbO3X-Cut Surface by Atomic Force Microscopy and Density Functional Theory.”https://doi.org/10.1103/physrevb.89.075403__Physical Review B 89, no. 7 (2014).https://doi.org/10.1103/physrevb.89.075403 .
LibreCat: /record/13516
DOI: 10.1103/physrevb.89.075403

Riefer, Arthur, Martin Rohrmüller, Marc Landmann, Simone Sanna, Eva Rauls, Nora Jenny Vollmers, Rebecca Hölscher, et al. “Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor from Massively Parallel Ab Initio Calculations.”https://doi.org/10.1007/978-3-319-02165-2_8__In High Performance Computing in Science and Engineering ‘13, edited by Wolfgang E. Nagel, Dietmar H. Kröner, and Michael M. Resch, 93–104. Transactions of the High Performance Computing Center, Stuttgart. Cham: Springer, 2013.https://doi.org/10.1007/978-3-319-02165-2_8 .
LibreCat: /record/18475
DOI: 10.1007/978-3-319-02165-2_8
WoS: 000360004100009

Jesser, Anton, Martin Rohrmüller, Wolf Gero Schmidt, and Sonja Herres-Pawlis. “Geometrical and Optical Benchmarking of Copper Guanidine-Quinoline Complexes: Insights from TD-DFT and Many-Body Perturbation Theory.”https://doi.org/10.1002/jcc.23449__Journal of Computational Chemistry 35, no. 1–2 (2013): 1–17.https://doi.org/10.1002/jcc.23449 .
LibreCat: /record/13517
DOI: 10.1002/jcc.23449

Frigge, T., S. Wall, B. Krenzer, St. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski, M. Kammler, Wolf Gero Schmidt, and M. Horn-von Hoegen. “Friggeet Al.Reply:”https://doi.org/10.1103/physrevlett.111.149602__Physical Review Letters 111 (2013): 149602.https://doi.org/10.1103/physrevlett.111.149602 .
LibreCat: /record/13518
DOI: 10.1103/physrevlett.111.149602

Riefer, A., S. Sanna, and Wolf Gero Schmidt. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.”https://doi.org/10.1080/00150193.2013.821904__Ferroelectrics 447 (2013): 78–85.https://doi.org/10.1080/00150193.2013.821904 .
LibreCat: /record/13519
DOI: 10.1080/00150193.2013.821904

Sanna, S., S. Rode, R. Hölscher, S. Klassen, C. Marutschke, K. Kobayashi, H. Yamada, Wolf Gero Schmidt, and A. Kühnle. “Charge Compensation by Long-Period Reconstruction in Strongly Polar Lithium Niobate Surfaces.”https://doi.org/10.1103/physrevb.88.115422__Physical Review B 88 (2013).https://doi.org/10.1103/physrevb.88.115422 .
LibreCat: /record/13521
DOI: 10.1103/physrevb.88.115422

Aldahhak, Hazem, Wolf Gero Schmidt, and E. Rauls. “Adsorption of PTCDA on NaCl(100) and KCl(100).”https://doi.org/10.1016/j.susc.2013.08.003__Surface Science 617 (2013): 242–48.https://doi.org/10.1016/j.susc.2013.08.003 .
LibreCat: /record/13522
DOI: 10.1016/j.susc.2013.08.003

Longo, Roberto C., Kyeongjae Cho, Wolf Gero Schmidt, Yves J. Chabal, and Peter Thissen. “Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations.”https://doi.org/10.1002/adfm.201202808__Advanced Functional Materials 23 (2013): 3471–77.https://doi.org/10.1002/adfm.201202808 .
LibreCat: /record/13523
DOI: 10.1002/adfm.201202808

Riefer, Arthur, Simone Sanna, Arno Schindlmayr, and Wolf Gero Schmidt. “Optical Response of Stoichiometric and Congruent Lithium Niobate from First-Principles Calculations.”https://doi.org/10.1103/PhysRevB.87.195208__Physical Review B 87, no. 19 (2013).https://doi.org/10.1103/PhysRevB.87.195208 .
LibreCat: /record/13525
DOI: 10.1103/PhysRevB.87.195208
WoS: 000319391000002

Eberhard, Jens, Ion Stoll, Regina Brockhinke, Beate Neumann, Hans-Georg Stammler, Arthur Riefer, Eva Rauls, Wolf Gero Schmidt, and Jochen Mattay. “Structural Variety of 5-Fluoroarene-2-Aminopyrimidine in Comparison to 2-Aminopyrimidine Silver(i) Coordination Polymers: Progress Report and Overview.”https://doi.org/10.1039/c2ce26388b__CrystEngComm 15, no. 21 (2013).https://doi.org/10.1039/c2ce26388b .
LibreCat: /record/13526
DOI: 10.1039/c2ce26388b

Rohrmüller, M., S. Herres-Pawlis, M. Witte, and Wolf Gero Schmidt. “Bis-;c-Oxo and ;c-:-Peroxo Dicopper Complexes Studied within (Time-Dependent) Density-Functional and Many-Body Perturbation Theory.”https://doi.org/10.1002/jcc.23230__Journal of Computational Chemistry 34 (2013): 1035–45.https://doi.org/10.1002/jcc.23230 .
LibreCat: /record/13527
DOI: 10.1002/jcc.23230

George, B. M., J. Behrends, A. Schnegg, T. F. Schulze, M. Fehr, L. Korte, B. Rech, et al. “Atomic Structure of Interface States in Silicon Heterojunction Solar Cells.”https://doi.org/10.1103/physrevlett.110.136803__Physical Review Letters 110, no. 13 (2013).https://doi.org/10.1103/physrevlett.110.136803 .
LibreCat: /record/13528
DOI: 10.1103/physrevlett.110.136803

Riefer, A., S. Sanna, and Wolf Gero Schmidt. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.”https://doi.org/10.1080/00150193.2013.821904__Ferroelectrics 447 (2013): 78–85.https://doi.org/10.1080/00150193.2013.821904 .
LibreCat: /record/13819
DOI: 10.1080/00150193.2013.821904

Sanna, Simone, A. Riefer, Sergej Neufeld, Wolf Gero Schmidt, Gerhard Berth, Michael Rüsing, A. Widhalm, and Artur Zrenner. “Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals.”https://doi.org/10.1080/00150193.2013.821893__Ferroelectrics 447, no. 1 (2013): 63–68.https://doi.org/10.1080/00150193.2013.821893 .
LibreCat: /record/13520
DOI: 10.1080/00150193.2013.821893

Landmann, M., E. Rauls, Wolf Gero Schmidt, Marcus Röppischer, Christoph Cobet, Norbert Esser, Thorsten Schupp, Donat J. As, Martin Feneberg, and Rüdiger Goldhahn. “Transition Energies and Direct-Indirect Band Gap Crossing in Zinc-Blende AlxGxN.”https://doi.org/10.1103/physrevb.87.195210__Physical Review B 87, no. 19 (2013).https://doi.org/10.1103/physrevb.87.195210 .
LibreCat: /record/13524
DOI: 10.1103/physrevb.87.195210

Schmidt, Christian, Tobias Breuer, Stefan Wippermann, Wolf Gero Schmidt, and Gregor Witte. “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals.”https://doi.org/10.1021/jp307316r__The Journal of Physical Chemistry C 116 (2012): 24098–106.https://doi.org/10.1021/jp307316r .
LibreCat: /record/13531
DOI: 10.1021/jp307316r