Publications of Alexandre Tkatchenko

Carrasco, J.; Liu, W.; Michaelides, A.; Tkatchenko, A.: Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces. The Journal of Chemical Physics 140 (8), 084704 (2014)

DiStasio, R. A.; Gobre, V.; Tkatchenko, A.: Many-body van der Waals interactions in molecules and condensed matter. Journal of Physics: Condensed Matter 26 (21), 213202 (2014)

DiStasio, R. A.; Tkatchenko, A.; Scheffler, M.; Car, R.: Accurate and efficient treatment of many-body van der Waals interactions: Theory and applications. Abstracts of Papers of the American Chemical Society 248, Phys 55 (2014)

Dostert, K.-H.; O'Brien, C.; Riedel , W.; Savara, A. A.; Liu, W.; Oehzelt, M.; Tkatchenko, A.; Schauermann, S.: Interaction of Isophorone with Pd(111): A Combination of Infrared Reflection–Absorption Spectroscopy, Near-Edge X-ray Absorption Fine Structure, and Density Functional Theory Studies. The Journal of Physical Chemistry C 118 (48), pp. 27833 - 27842 (2014)

Kronik, L.; Tkatchenko, A.: Understanding Molecular Crystals with Dispersion-Inclusive Density Functional Theory: Pairwise Corrections and Beyond. Accounts of Chemical Research 47 (11), pp. 3208 - 3216 (2014)

Liu, W.; Tkatchenko, A.; Scheffler, M.: Modeling Adsorption and Reactions of Organic Molecules at Metal Surfaces. Accounts of Chemical Research 47 (11), pp. 3369 - 3377 (2014)

Madix, R.; Rodriguez-Reyes, J. C.; Siler, C.; Tkatchenko, A.; Friend, C.: Interactive displacement reactions in the surface oxidation chemistry of metallic gold. Abstracts of Papers of the American Chemical Society 248, Coll 434 (2014)

Marom, N.; Körzdörfer, T.; Ren, X.; Tkatchenko, A.; Chelikowsky, J. R.: Size Effects in the Interface Level Alignment of Dye-Sensitized TiO₂ Clusters. The Journal of Physical Chemistry Letters 5 (12), pp. 2395 - 2401 (2014)

Reilly, A.; Tkatchenko, A.: Role of Dispersion Interactions in the Polymorphism and Entropic Stabilization of the Aspirin Crystal. Physical Review Letters 113 (5), 055701 (2014)

Rodriguez-Reyes, J. C. F.; Siler, C. G.F.; Liu, W.; Tkatchenko, A.; Friend, C. M.; Madix, R. J.: van der Waals Interactions Determine Selectivity in Catalysis by Metallic Gold. Journal of the American Chemical Society 136 (38), pp. 13333 - 13340 (2014)

Santra, B.; Klimeš, J.; Tkatchenko, A.; Alfè, D.; Slater, B.; Michaelides, A.; Car, R.; Scheffler, M.: Accuracy of van der Waals inclusive DFT functionals for ice at ambient and high pressures. Abstracts of Papers of the American Chemical Society 248, Comp 199 (2014)

Schatschneider, B.; Monaco, S.; Liang, J.-J.; Tkatchenko, A.: High-Throughput Investigation of the Geometry and Electronic Structures of Gas-Phase and Crystalline Polycyclic Aromatic Hydrocarbons. The Journal of Physical Chemistry C 118 (34), pp. 19964 - 19974 (2014)

Schuler, B.; Liu, W.; Tkatchenko, A.; Moll, N.; Meyer, G.; Mistry, A.; Fox, D.; Gross, L.: Publisher’s Note: Adsorption Geometry Determination of Single Molecules by Atomic Force Microscopy [Phys. Rev. Lett. 111, 106103 (2013)]. Physical Review Letters 112 (12), 129902 (2014)

Wagner, C.; Fournier, N.; Ruiz, V. G.; Li, C.; Muellen, K.; Rohlfing, M.; Tkatchenko, A.; Temirov, R.; Tautz, F. S.: Non-additivity of molecule-surface van der Waals potentials from force measurements. Nature Communications 5 (11), 5568 (2014)

Agrawal, P.; Tkatchenko, A.; Kronik, L.: Pair-Wise and Many-Body Dispersive Interactions Coupled to an Optimally Tuned Range-Separated Hybrid Functional. Journal of Chemical Theory and Computation 9 (8), pp. 3473 - 3478 (2013)

Bürker, C.; Ferri, N.; Tkatchenko, A.; Gerlach, A.; Niederhausen, J.; Hosokai, T.; Duhm, S.; Zegenhagen, J.; Koch, N.; Schreiber, F.: Exploring the bonding of large hydrocarbons on noble metals: Diindoperylene on Cu(111), Ag(111), and Au(111). Physical Review B 87 (16), 165443 (2013)

Cho, Y.; Min, S. K.; Yun, J.; Kim, W. Y.; Tkatchenko, A.; Kim, K. S.: Noncovalent Interactions of DNA Bases with Naphthalene and Graphene. Journal of Chemical Theory and Computation 9 (4), pp. 2090 - 2096 (2013)

Egger, D. A.; Ruiz, V. G.; Saidi, W. A.; Bučko, T.; Tkatchenko, A.; Zojer, E.: Understanding Structure and Bonding of Multilayered Metal–Organic Nanostructures. The Journal of Physical Chemistry C 117 (6), pp. 3055 - 3061 (2013)

Gao, W.; Tkatchenko, A.: Electronic Structure and van der Waals Interactions in the Stability and Mobility of Point Defects in Semiconductors. Physical Review Letters 111 (4), 045501 (2013)

Gobre, V.; Tkatchenko, A.: Scaling Laws for van der Waals Interactions in Nanostructured Materials. Nature Communications 4, 2341 (2013)