Publikationen von Sergey V. Levchenko

Zeitschriftenartikel (35)

2020
Zeitschriftenartikel
Janke, S.M., M. Rossi, S.V. Levchenko, S. Kokott, M. Scheffler und V. Blum: Pentacene and Tetracene Molecules and Films on H/Si(111): Level Alignment from Hybrid Density Functional Theory. Electronic Structure 2 (3), 035002 (2020).
2019
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Andersen, M., S.V. Levchenko, M. Scheffler und K. Reuter: Beyond Scaling Relations for the Description of Catalytic Materials. ACS Catalysis 9 (4), 2752–2759 (2019).
Zeitschriftenartikel
Bagus, P.S., C.J. Nelin, S.V. Levchenko, X. Zhao, E. Davis, H. Kuhlenbeck und H.-J. Freund: Surface core level BE shifts for CaO(100): insights into physical origins. Physical Chemistry Chemical Physics 21 (45), 25431–25438 (2019).
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Bagus, P.S., C.J. Nelin, X. Zhao, S.V. Levchenko, E. Davis, X. Weng, F. Späth, C. Papp, H. Kuhlenbeck und H.-J. Freund: Revisiting surface core-level shifts for ionic compounds. Physical Review B 100 (11), 115419 (2019).
Zeitschriftenartikel
Levchenko, S.V. und M. Scheffler: Compact representation of one-particle wavefunctions and scalar fields obtained from electronic-structure calculations. Computer Physics Communications 237, 42–46 (2019).
Zeitschriftenartikel
Millet, M.-M., G. Algara-Siller, S. Wrabetz, A. Mazheika, F. Girgsdies, D. Teschner, F. Seitz, A. Tarasov, S.V. Levchenko, R. Schlögl und E. Frei: Ni Single Atom Catalysts for CO2 Activation. Journal of the American Chemical Society 141 (6), 2451–2461 (2019).
Zeitschriftenartikel
Schewski, R., K. Lion, A. Fiedler, C. Wouters, A. Popp, S.V. Levchenko, T. Schulz, M. Schmidbauer, S. Bin Anooz, R. Grüneberg, Z. Galazka, G. Wagner, K. Irmscher, M. Scheffler, C. Draxl und M. Albrecht: Step-flow growth in homoepitaxy of β-Ga2O3 (100)-The influence of the miscut direction and faceting. APL Materials 7 (2), 022515 (2019).
Zeitschriftenartikel
Wang, H., S.V. Levchenko, T. Schultz, N. Koch, M. Scheffler und M. Rossi: Modulation of the Work Function by the Atomic Structure of Strong Organic Electron Acceptors on H‐Si(111). Advanced Electronic Materials 5 (5), 1800891 (2019).
Zeitschriftenartikel
Zhang, I.Y., A.J. Logsdail, X. Ren, S.V. Levchenko, L.M. Ghiringhelli und M. Scheffler: Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: Systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations. New Journal of Physics 21 (1), 013025 (2019).
2018
Zeitschriftenartikel
Kokott, S., S.V. Levchenko, P. Rinke und M. Scheffler: First-principles supercell calculations of small polarons with proper account for long-range polarization effects. New Journal of Physics 20 (3), 033023 (2018).
Zeitschriftenartikel
Saini, S., D. Sarker, P. Basera, S.V. Levchenko, L.M. Ghiringhelli und S. Bhattacharya: Structure and Electronic Properties of Transition-Metal/Mg Bimetallic Clusters at Realistic Temperatures and Oxygen Partial Pressures. The Journal of Physical Chemistry C 122 (29), 16788–16794 (2018).
2017
Zeitschriftenartikel
Alarcón Villaseca, S., A. Ormeci, S.V. Levchenko, R. Schlögl, Y. Grin und M. Armbrüster: CO Adsorption on GaPd—Unravelling the Chemical Bonding in Real Space. ChemPhysChem 18 (4), 334–337 (2017).
Zeitschriftenartikel
Bhattacharya, S., D. Berger, K. Reuter, L.M. Ghiringhelli und S.V. Levchenko: Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces. Physical Review Materials 01 (07), 071601 (2017).
Zeitschriftenartikel
Ghiringhelli, L.M., C. Carbogno, S.V. Levchenko, F.R. Mohamed, G. Huhs, M. Lüders, M. Oliveira und M. Scheffler: Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats. npj Computational Materials 3, 46 (2017).
Zeitschriftenartikel
Ghiringhelli, L.M., J. Vybiral, E. Ahmetcik, R. Ouyang, S.V. Levchenko, C. Draxl und M. Scheffler: Learning physical descriptors for materials science by compressed sensing. New Journal of Physics 19 (2), 023017 (2017).
Zeitschriftenartikel
Simon, U., S. Alarcón Villaseca, H. Shang, S.V. Levchenko, S. Arndt, J.D. Epping, O. Görke, M. Scheffler, R. Schomäcker, J.van Tol, A. Ozarowski und K.-P. Dinse: Li/MgO Catalysts Doped with Alio-valent Ions. Part II: Local Topology Unraveled by EPR/NMR and DFT Modeling. ChemCatChem 9 (18), 3597–3610 (2017).
2016
Zeitschriftenartikel
Alarcón Villaseca, S., S.V. Levchenko und M. Armbrüster: CO adsorption on the GaPd(̄1̄1̄1) surface: a comparative DFT study using different functionals. Physical Chemistry Chemical Physics 18 (21), 14390–14400 (2016).
Zeitschriftenartikel
Fujimori, Y., X. Zhao, X. Shao, S.V. Levchenko, N. Nilius, M. Sterrer und H.-J. Freund: Interaction of Water with the CaO(001) Surface. The Journal of Physical Chemistry C 120 (10), 5565–5576 (2016).
Zeitschriftenartikel
Kirsch, H., X. Zhao, Z. Ren, S.V. Levchenko und R.K. Campen: CH2 Stabilized at Steps on Ru(0001) by Coadsorbates. The Journal of Physical Chemistry C 120 (43), 24724–24733 (2016).
Zeitschriftenartikel
Mazheika, A. und S.V. Levchenko: Ni Substitutional Defects in Bulk and at the (001) Surface of MgO from First-Principles Calculations. The Journal of Physical Chemistry C 120 (47), 26934–26944 (2016).
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