Please note that LibreCat no longer supports Internet Explorer versions 8 or 9 (or earlier).
We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.
727 Publications
2011 | Journal Article | LibreCat-ID: 13564
dos Santos, L. S., et al. “Group-VII Point Defects in ZnSe.” Physical Review B, vol. 84, no. 11, 2011, doi:10.1103/physrevb.84.115201.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13565
Müllegger, Stefan, et al. “Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System.” ACS Nano, vol. 5, no. 8, 2011, pp. 6480–86, doi:10.1021/nn201708c.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13568
Mietze, C., et al. “Band Offsets in Cubic GaN/AlN Superlattices.” Physical Review B, vol. 83, no. 19, 2011, doi:10.1103/physrevb.83.195301.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13570
Müllegger, S., et al. “Asymmetric Saddling of Single Porphyrin Molecules on Au(111).” Physical Review B, vol. 83, no. 16, 2011, doi:10.1103/physrevb.83.165416.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13571
Thierfelder, C., et al. “Methane Adsorption on Graphene from First Principles Including Dispersion Interaction.” Surface Science, vol. 605, 2011, pp. 746–49, doi:10.1016/j.susc.2011.01.012.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13823
Sanna, S., et al. “Vibrational Properties of the LiNbO3 Z-Surfaces.” IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, vol. 58, no. 9, 2011, pp. 1751–56, doi:10.1109/tuffc.2011.2012.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13825
Sanna, S., et al. “Barium Titanate Ground- and Excited-State Properties from First-Principles Calculations.” Physical Review B, vol. 83, no. 5, 2011, doi:10.1103/physrevb.83.054112.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 4543
Sanna, S., et al. “Localised Phonon Modes at LiNbO3(0001) Surfaces.” Ferroelectrics, vol. 419, no. 1, Informa UK Limited, 2011, pp. 1–8, doi:10.1080/00150193.2011.594396.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 15846
Schumacher, Stefan, et al. “Dynamics of Photoexcitation and Stimulated Optical Emission in Conjugated Polymers: A Multiscale Quantum-Chemistry and Maxwell-Bloch-Equations Approach.” Physical Review B, 2010, doi:10.1103/physrevb.81.245407.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13573
Thierfelder, Christian, et al. “Do We Know the Band Gap of Lithium Niobate?” Physica Status Solidi C, vol. 7, no. 2, Wiley-VCH, 2010, pp. 362–65, doi:10.1002/pssc.200982473.
LibreCat
| Files available
| DOI
| WoS
2010 | Journal Article | LibreCat-ID: 13574
Gerstmann, Uwe, et al. “Ab Initiog-Tensor Calculation for Paramagnetic Surface States: Hydrogen Adsorption at Si Surfaces.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 157–60, doi:10.1002/pssc.200982462.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13581
Wippermann, S., et al. “Optical Anisotropy of Si(111)-(4 × 1)/(8 × 2)-In Nanowires Calculated Fromfirst-Principles.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 133–36, doi:10.1002/pssc.200982413.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13826
Blankenburg, S., et al. “Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization.” The Journal of Physical Chemistry Letters, vol. 1, 2010, pp. 3266–70, doi:10.1021/jz101389u.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13827
Wippermann, S., and Wolf Gero Schmidt. “Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array.” Physical Review Letters, vol. 105, no. 12, 2010, doi:10.1103/physrevlett.105.126102.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13829
Krivosheeva, A. V., et al. “First-Principles Investigation of CO Adsorption on Pt/Ge(001)-(4×2).” Computational Materials Science, vol. 49, no. 4, 2010, pp. 895–98, doi:10.1016/j.commatsci.2010.06.043.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13830
Rauls, E., et al. “Understanding the Cubic AlN Growth Plane from First Principles.” Journal of Crystal Growth, vol. 312, 2010, pp. 2892–95, doi:10.1016/j.jcrysgro.2010.07.027.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13832
Thierfelder, C., and Wolf Gero Schmidt. “First-Principles Study of Water Adsorption and a High-Density Interfacial Ice Structure on(1×1)-O/Rh(111).” Physical Review B, vol. 82, no. 11, 2010, doi:10.1103/physrevb.82.115402.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13833
Sanna, Simone, and Wolf Gero Schmidt. “Lithium NiobateX-Cut,Y-Cut, AndZ-Cut Surfaces Fromab Initiotheory.” Physical Review B, vol. 81, no. 21, 2010, doi:10.1103/physrevb.81.214116.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13834
Sanna, Simone, and Wolf Gero Schmidt. “GaN/LiNbO3 (0001) Interface Formation Calculated from First-Principles.” Applied Surface Science, vol. 256, 2010, pp. 5740–43, doi:10.1016/j.apsusc.2010.03.098.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13836
Rauls, E., et al. “Chemical Reactivity on Surfaces: Modeling the Imide Synthesis from DATP and PTCDA on Au(111).” Physical Review B, vol. 81, no. 12, 2010, doi:10.1103/physrevb.81.125401.
LibreCat
| DOI