Publications of Sergey V. Levchenko

Journal Article (35)

2015
Journal Article
S.V. Levchenko, X. Ren, J. Wieferink, P. Rinke, V. Blum, M. Scheffler and R. Johanni: Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework. Computer Physics Communications 192, 60–69 (2015).
Journal Article
N. Richter, F. Stavale, S.V. Levchenko, N. Nilius, H.-J. Freund and M. Scheffler: Defect complexes in Li-doped MgO. Physical Review B 91 (19), 195305 (2015).
Journal Article
L.M. Ghiringhelli and S.V. Levchenko: Strengthening gold-gold bonds by complexing gold clusters with noble gases. Inorganic Chemistry Communications 55, 153–156 (2015).
Journal Article
X. Zhao, X. Shao, Y. Fujimori, S. Bhattacharya, L.M. Ghiringhelli, H.-J. Freund, M. Sterrer, N. Nilius and S.V. Levchenko: Formation of Water Chains on CaO(001): What Drives the 1D Growth? The Journal of Physical Chemistry Letters 6 (7), 1204–1208 (2015).
Journal Article
L.M. Ghiringhelli, J. Vybiral, S.V. Levchenko, C. Draxl and M. Scheffler: Big Data of Materials science: Critical Role of the Descriptor. Physical Review Letters 114 (10), 105503 (2015).
2014
Journal Article
S. Bhattacharya, S.V. Levchenko, L.M. Ghiringhelli and M. Scheffler: Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms. New Journal of Physics 16 (12), 123016 (2014).
Journal Article
H. Kirsch, X. Zhao, Z. Ren, S.V. Levchenko, M. Wolf and R.K. Campen: Controlling CH2 dissociation on Ru(0001) through surface site blocking by adsorbed hydrogen. Journal of Catalysis 320, 89–96 (2014).
2013
Journal Article
S. Bhattacharya, S.V. Levchenko, L.M. Ghiringhelli and M. Scheffler: Stability and metastability of clusters in a reactive atmosphere: Theoretical evidence for unexpected stoichiometries of MgMOx. Physical Review Letters 111 (13), 135501 (2013).
Journal Article
N. Richter, S. Sicolo, S.V. Levchenko, J. Sauer and M. Scheffler: Concentration of Vacancies at Metal Oxide Surfaces: Case Study of MgO(100). Physical Review Letters 111 (4), 045502 (2013).
Journal Article
N. Marom, R.A. DiStasio, V. Atalla, S.V. Levchenko, A. Reilly, J.R. Chelikowsky, L. Leiserowitz and A. Tkatchenko: Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie International Edition: a journal of the Gesellschaft Deutscher Chemiker 52 (26), 6629–6632 (2013).
Journal Article
N. Marom, R.A. DiStasio, V. Atalla, S.V. Levchenko, A. Reilly, J.R. Chelikowsky, L. Leiserowitz and A. Tkatchenko: Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie: eine Zeitschrift der Gesellschaft Deutscher Chemiker 125 (26), 6761–6764 (2013).
2012
Journal Article
L.O. Paz Borbón, G. Barcaro, A. Fortunelli and S.V. Levchenko: AuN clusters (N = 1–6) supported on MgO(100) surfaces: Effect of exact exchange and dispersion interactions on adhesion energies. Physical review / B 85 (15), 155409 (2012).
Journal Article
L.O. Paz-Borbón, G. Barcaro, A. Fortunelli and S.V. Levchenko: AuN clusters (N=1-6) supported on MgO(100) surfaces: Effect of exact exchange and dispersion interactions on adhesion energies. Physical Review B 85, 155409 (2012).
2011
Journal Article
S. Arndt, G. Laugel, S.V. Levchenko, R. Horn, M. Baerns, M. Scheffler, R. Schlögl and R. Schomäcker: A Critical Assessment of Li/MgO-Based Catalysts for the Oxidative Coupling of Methane. Catalysis Reviews: Science and Engineering 53 (4), 424–514 (2011).
2010
Journal Article
P. Myrach, N. Nilius, S.V. Levchenko, A. Gonchar, T. Risse, K.-P. Dinse, L.A. Boatner, W. Frandsen, R. Horn, H.-J. Freund, R. Schlögl and M. Scheffler: Temperature-Dependent Morphology, Magnetic and Optical Properties of Li-Doped MgO. ChemCatChem: heterogeneous & homogeneous & bio-catalysis 2 (7), 854–862 (2010).

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