Publications of Sergey V. Levchenko
All genres
Journal Article (35)
2020
Journal Article
Janke, Svenja Maria, Mariana Rossi, Sergey V. Levchenko, Sebastian Kokott, Matthias Scheffler and : Pentacene and Tetracene Molecules and Films on H/Si(111): Level Alignment from Hybrid Density Functional Theory.
2019
Journal Article
, Sergey V. Levchenko, Matthias Scheffler and Karsten Reuter: Beyond Scaling Relations for the Description of Catalytic Materials.
Journal Article
, , Sergey V. Levchenko, Xunhua Zhao, Earl Davis, Helmut Kuhlenbeck and Hans-Joachim Freund: Surface core level BE shifts for CaO(100): insights into physical origins.
Journal Article
, , Xunhua Zhao, Sergey V. Levchenko, Earl Davis, Xuefei Weng, , , Helmut Kuhlenbeck and Hans-Joachim Freund: Revisiting surface core-level shifts for ionic compounds.
Journal Article
Levchenko, Sergey V. and Matthias Scheffler: Compact representation of one-particle wavefunctions and scalar fields obtained from electronic-structure calculations.
Journal Article
Millet, Marie-Mathilde, Gerardo Algara-Siller, Sabine Wrabetz, Aliaksei Mazheika, Frank Girgsdies, Detre Teschner, , Andrey Tarasov, Sergey V. Levchenko, Robert Schlögl and Elias Frei: Ni Single Atom Catalysts for CO2 Activation.
Journal Article
, , , , , Sergey V. Levchenko, , , , , , , , Matthias Scheffler, and : Step-flow growth in homoepitaxy of β-Ga2O3 (100)-The influence of the miscut direction and faceting.
Journal Article
Wang, Haiyuan, Sergey V. Levchenko, , , Matthias Scheffler and Mariana Rossi: Modulation of the Work Function by the Atomic Structure of Strong Organic Electron Acceptors on H‐Si(111).
Journal Article
Zhang, Igor Ying, , , Sergey V. Levchenko, Luca M. Ghiringhelli and Matthias 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.
2018
Journal Article
Kokott, Sebastian, Sergey V. Levchenko, and Matthias Scheffler: First-principles supercell calculations of small polarons with proper account for long-range polarization effects.
Journal Article
, , , Sergey V. Levchenko, Luca M. Ghiringhelli and : Structure and Electronic Properties of Transition-Metal/Mg Bimetallic Clusters at Realistic Temperatures and Oxygen Partial Pressures.
2017
Journal Article
Alarcón Villaseca, Sebastián, , Sergey V. Levchenko, Robert Schlögl, and : CO Adsorption on GaPd—Unravelling the Chemical Bonding in Real Space.
Journal Article
, , Karsten Reuter, Luca M. Ghiringhelli and Sergey V. Levchenko: Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces.
Journal Article
Ghiringhelli, Luca M., Christian Carbogno, Sergey V. Levchenko, Fawzi Roberto Mohamed, , , and Matthias Scheffler: Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats.
Journal Article
Ghiringhelli, Luca M., , Emre Ahmetcik, Runhai Ouyang, Sergey V. Levchenko, and Matthias Scheffler: Learning physical descriptors for materials science by compressed sensing.
Journal Article
, Sebastián Alarcón Villaseca, Honghui Shang, Sergey V. Levchenko, , , , Matthias Scheffler, , , and : Li/MgO Catalysts Doped with Alio-valent Ions. Part II: Local Topology Unraveled by EPR/NMR and DFT Modeling.
2016
Journal Article
Alarcón Villaseca, Sebastián, Sergey V. Levchenko and : CO adsorption on the GaPd(̄1̄1̄1) surface: a comparative DFT study using different functionals.
Journal Article
Fujimori, Yuichi, Xunhua Zhao, Xiang Shao, Sergey V. Levchenko, Niklas Nilius, Martin Sterrer and Hans-Joachim Freund: Interaction of Water with the CaO(001) Surface.
Journal Article
Kirsch, Harald, Xunhua Zhao, , Sergey V. Levchenko and R.Kramer Campen: CH2 Stabilized at Steps on Ru(0001) by Coadsorbates.
Journal Article
Mazheika, Aliaksei and Sergey V. Levchenko: Ni Substitutional Defects in Bulk and at the (001) Surface of MgO from First-Principles Calculations.