Publications of Alexandre Tkatchenko

Carrasco, J., W. Liu, A. Michaelides and A. Tkatchenko: 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., V. Gobre and A. Tkatchenko: Many-body van der Waals interactions in molecules and condensed matter. Journal of Physics: Condensed Matter 26 (21), 213202 (2014).

DiStasio, R.A., A. Tkatchenko, M. Scheffler and R. Car: 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., C. O'Brien, W. Riedel , A.A. Savara, W. Liu, M. Oehzelt, A. Tkatchenko and S. Schauermann: 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), 27833–27842 (2014).

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

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

Madix, R., J.C. Rodriguez-Reyes, C. Siler, A. Tkatchenko and C. Friend: 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., T. Körzdörfer, X. Ren, A. Tkatchenko and J.R. Chelikowsky: Size Effects in the Interface Level Alignment of Dye-Sensitized TiO₂ Clusters. The Journal of Physical Chemistry Letters 5 (12), 2395–2401 (2014).

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

Santra, B., J. Klimeš, A. Tkatchenko, D. Alfè, B. Slater, A. Michaelides, R. Car and M. Scheffler: 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., S. Monaco, J.-J. Liang and A. Tkatchenko: 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), 19964–19974 (2014).

Schuler, B., W. Liu, A. Tkatchenko, N. Moll, G. Meyer, A. Mistry, D. Fox and L. Gross: 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., N. Fournier, V.G. Ruiz, C. Li, K. Muellen, M. Rohlfing, A. Tkatchenko, R. Temirov and F.S. Tautz: Non-additivity of molecule-surface van der Waals potentials from force measurements. Nature Communications 5 (11), 5568 (2014).

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

Bürker, C., N. Ferri, A. Tkatchenko, A. Gerlach, J. Niederhausen, T. Hosokai, S. Duhm, J. Zegenhagen, N. Koch and F. Schreiber: 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., S.K. Min, J. Yun, W.Y. Kim, A. Tkatchenko and K.S. Kim: Noncovalent Interactions of DNA Bases with Naphthalene and Graphene. Journal of Chemical Theory and Computation 9 (4), 2090–2096 (2013).

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

Gao, W. and A. Tkatchenko: 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. and A. Tkatchenko: Scaling Laws for van der Waals Interactions in Nanostructured Materials. Nature Communications 4, 2341 (2013).