Researcher Portfolio

Dr. Levchenko, Sergey V.

NOMAD, Fritz Haber Institute, Max Planck Society, Theory, Fritz Haber Institute, Max Planck Society

Researcher Profile

Position: Theory, Fritz Haber Institute, Max Planck Society

Position: NOMAD, Fritz Haber Institute, Max Planck Society

Researcher ID: https://pure.mpg.de/cone/persons/resource/persons21797

External references

WorldCat Search for Levchenko, Sergey V.

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Publications

(1 - 25 of 92)

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: Janke, S. M., Rossi, M., Levchenko, S. V., Kokott, S., Scheffler, M., & Blum, V. (2020). Pentacene and Tetracene Molecules and Films on H/Si(111): Level Alignment from Hybrid Density Functional Theory. Electronic Structure, 2(3): 035002. doi:10.1088/2516-1075/ab9bb5. [PubMan] : Mazheika, A., Wang, Y., Valero, R., Ghiringhelli, L. M., Vines, F., Illas, F., Levchenko, S. V., & Scheffler, M. (in preparation). Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces. [PubMan] : Bagus, P. S., Nelin, C. J., Levchenko, S. V., Zhao, X., Davis, E., Kuhlenbeck, H., & Freund, H.-J. (2019). Surface core level BE shifts for CaO(100): insights into physical origins. Physical Chemistry Chemical Physics, 21(45), 25431-25438. doi:10.1039/C9CP04847B. [PubMan] : Bagus, P. S., Nelin, C. J., Zhao, X., Levchenko, S. V., Davis, E., Weng, X., Späth, F., Papp, C., Kuhlenbeck, H., & Freund, H.-J. (2019). Revisiting surface core-level shifts for ionic compounds. Physical Review B, 100(11): 115419. doi:10.1103/PhysRevB.100.115419. [PubMan] : Levchenko, S. V., & Scheffler, M. (2019). Compact representation of one-particle wavefunctions and scalar fields obtained from electronic-structure calculations. Computer Physics Communications, 237, 42-46. doi:10.1016/j.cpc.2018.11.004. [PubMan] : Wang, H., Levchenko, S. V., Schultz, T., Koch, N., Scheffler, M., & Rossi, M. (2019). Modulation of the Work Function by the Atomic Structure of Strong Organic Electron Acceptors on H‐Si(111). Advanced Electronic Materials, 5(5): 1800891. doi:10.1002/aelm.201800891. [PubMan] : Andersen, M., Levchenko, S. V., Scheffler, M., & Reuter, K. (2019). Beyond Scaling Relations for the Description of Catalytic Materials. ACS Catalysis, 9(4), 2752-2759. doi:10.1021/acscatal.8b04478. [PubMan] : Millet, M.-M., Algara-Siller, G., Wrabetz, S., Mazheika, A., Girgsdies, F., Teschner, D., Seitz, F., Tarasov, A., Levchenko, S. V., Schlögl, R., & Frei, E. (2019). Ni Single Atom Catalysts for CO₂ Activation. Journal of the American Chemical Society, 141(6), 2451-2461. doi:10.1021/jacs.8b11729. [PubMan] : Schewski, R., Lion, K., Fiedler, A., Wouters, C., Popp, A., Levchenko, S. V., Schulz, T., Schmidbauer, M., Bin Anooz, S., Grüneberg, R., Galazka, Z., Wagner, G., Irmscher, K., Scheffler, M., Draxl, C., & Albrecht, M. (2019). Step-flow growth in homoepitaxy of β-Ga₂O₃ (100)-The influence of the miscut direction and faceting. APL Materials, 7(2): 022515. doi:10.1063/1.5054943. [PubMan] : Zhang, I. Y., Logsdail, A. J., Ren, X., Levchenko, S. V., Ghiringhelli, L. M., & Scheffler, M. (2019). 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. doi:10.1088/1367-2630/aaf751. [PubMan] : Saini, S., Sarker, D., Basera, P., Levchenko, S. V., Ghiringhelli, L. M., & Bhattacharya, S. (2018). 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. doi:10.1021/acs.jpcc.8b03787. [PubMan] : Kokott, S., Levchenko, S. V., Rinke, P., & Scheffler, M. (2018). First-principles supercell calculations of small polarons with proper account for long-range polarization effects. New Journal of Physics, 20(3): 033023. doi:10.1088/1367-2630/aaaf44. [PubMan] : Bhattacharya, S., Berger, D., Reuter, K., Ghiringhelli, L. M., & Levchenko, S. V. (2017). Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces. Physical Review Materials, 01(07): 071601. doi:10.1103/PhysRevMaterials.1.071601. [PubMan] : Ghiringhelli, L. M., Carbogno, C., Levchenko, S. V., Mohamed, F. R., Huhs, G., Lüders, M., Oliveira, M., & Scheffler, M. (2017). Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats. npj Computational Materials, 3: 46. doi:10.1038/s41524-017-0048-5. [PubMan] : Simon, U., Alarcón Villaseca, S., Shang, H., Levchenko, S. V., Arndt, S., Epping, J. D., Görke, O., Scheffler, M., Schomäcker, R., Tol, J. v., Ozarowski, A., & Dinse, K.-P. (2017). Li/MgO Catalysts Doped with Alio-valent Ions. Part II: Local Topology Unraveled by EPR/NMR and DFT Modeling. ChemCatChem, 9(18), 3597 -3610. doi:10.1002/cctc.201700610. [PubMan] : Alarcón Villaseca, S., Ormeci, A., Levchenko, S. V., Schlögl, R., Grin, Y., & Armbrüster, M. (2017). CO Adsorption on GaPd—Unravelling the Chemical Bonding in Real Space. ChemPhysChem, 18(4), 334-337. doi:10.1002/cphc.201601162. [PubMan] : Ghiringhelli, L. M., Vybiral, J., Ahmetcik, E., Ouyang, R., Levchenko, S. V., Draxl, C., & Scheffler, M. (2017). Learning physical descriptors for materials science by compressed sensing. New Journal of Physics, 19(2): 023017. doi:10.1088/1367-2630/aa57bf. [PubMan] : Mazheika, A., & Levchenko, S. V. (2016). 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. doi:10.1021/acs.jpcc.6b09505. [PubMan] : Kirsch, H., Zhao, X., Ren, Z., Levchenko, S. V., & Campen, R. K. (2016). CH₂ Stabilized at Steps on Ru(0001) by Coadsorbates. The Journal of Physical Chemistry C, 120(43), 24724-24733. doi:10.1021/acs.jpcc.6b07088. [PubMan] : Ghiringhelli, L. M., Carbogno, C., Levchenko, S. V., Mohamed, F. R., Huhs, G., Lüders, M., Oliveira, M., & Scheffler, M. (2016). Towards a Common Format for Computational Materials Science Data. Psi-k Scientific Highlight Of The Month, (131), 1-16. Retrieved from http://psi-k.net/download/highlights/Highlight_131.pdf. [PubMan] : Alarcón Villaseca, S., Levchenko, S. V., & Armbrüster, M. (2016). CO adsorption on the GaPd(̄1̄1̄1) surface: a comparative DFT study using different functionals. Physical Chemistry Chemical Physics, 18(21), 14390-14400. doi:10.1039/c6cp01820c. [PubMan] : Fujimori, Y., Zhao, X., Shao, X., Levchenko, S. V., Nilius, N., Sterrer, M., & Freund, H.-J. (2016). Interaction of Water with the CaO(001) Surface. The Journal of Physical Chemistry C, 120(10), 5565-5576. doi:10.1021/acs.jpcc.6b00433. [PubMan] : Levchenko, S. V., Ren, X., Wieferink, J., Rinke, P., Blum, V., Scheffler, M., & Johanni, R. (2015). Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework. Computer Physics Communications, 192, 60-69. doi:10.1016/j.cpc.2015.02.021. [PubMan] : Richter, N., Stavale, F., Levchenko, S. V., Nilius, N., Freund, H.-J., & Scheffler, M. (2015). Defect complexes in Li-doped MgO. Physical Review B, 91(19): 195305. doi:10.1103/PhysRevB.91.195305. [PubMan] : Ghiringhelli, L. M., & Levchenko, S. V. (2015). Strengthening gold-gold bonds by complexing gold clusters with noble gases. Inorganic Chemistry Communications, 55, 153-156. doi:10.1016/j.inoche.2015.03.010. [PubMan]