List of Publications

[in PDF format]

[all|2017|2016|2015|earlier than 2015]

All publications

  1. Sung Sakong and Axel Gro, Methanol oxidation on Pt(111) from first-principles in heterogeneous and electro-catalysis, Electrocatalysis 8, 577-586 (2017). [doi]
  2. Sung Sakong, Julia M. Fischer, David Mahlberg, R. Jürgen Behm, and Axel Gro, Influence of step and island edges on local adsorption properties: Hydrogen adsorption on Pt monolayer island modified Ru(0001) electrodes, Electrocatalysis 8, 530-539 (2017). [doi]
  3. Sung Sakong and Axel Gro, The importance of the electrochemical environment in the electro-oxidation of methanol on Pt(111), ACS Catal. 6, 5575-5586 (2016). [doi]
  4. Sung Sakong, Katrin Forster-Tonigold, and Axel Gro, The structure of water at a Pt(111) electrode and the potential of zero charge studied from first principles, J. Chem. Phys. 144, 194701 (2016). [doi] [Cover of Issue 19]
  5. A. S. Syed, M. Trontl, M. Ligges, S. Sakong, P. Kratzer, D. Lükerman, P. Zhou, I. Avigo, H. Pfnür, C. Tegenkamp, and U. Bovensiepen, Unoccupied electronic states and momentum-dependent scattering dynamics in Pb/Si(557) nanowire arrays, Phys. Rev. B 92, 134301 (2015). [doi]
  6. Sung Sakong, Maryam Naderian, Kiran Mathew, Richard G. Hennig, and Axel Gro, Density functional theory study of the electrochemical interface between a Pt electrode and an aqueous electrolyte using an implicit solvent method, J. Chem. Phys. 142, 234107 (2015). [doi]
  7. Nicolas Hrmann, Markus Jckle, Florian Gossenberger, Tanglaw Roman, Katrin Forster-Tonigold, Maryam Naderian, Sung Sakong and Axel Gro, Some challenges in the first-principles modeling of structures and processes in electrochemical energy storage and transfer, J. Power Sources 275, 531-538 (2015). [doi]
  8. M. Hjort, S. Lehmann, J. Knutsson, A. Zakharov, Y. Du, S. Sakong, R. Timm, G. Nylund, E. Lundgren, P. Kratzer, K. Dick, and A. Mikkelsen, Electronic and Structural Differences between Wurtzite and Zinc Blende InAs Nanowire Surfaces: Experiment and Theory, ACS Nano 8, 12346-12355 (2014). [doi]
  9. Johann Gutjahr, Sung Sakong, and Peter Kratzer, The interplay of hydrogen treatment and nitrogen doping in ZnO nanoparticles: a first-principles study, Nanotechnology 25, 145204 (2014). [doi]
  10. Axel Gro, Florian Gossenberger, Xiaohang Lin, Maryam Naderian, Sung Sakong, and Tanglaw Roman, Water structures at metal electrodes studied by ab initio molecular dynamics simulations, J. Electrochem. Soc. 161, E3015 (2014). [doi]
  11. Sung Sakong, Yaojun A. Du, and Peter Kratzer, Atomistic modeling of the Au droplet-GaAs interface for size-selective nanowire growth, Phys. Rev. B 88, 155309 (2013). [doi]
  12. Sung Sakong, Yaojun A. Du, and Peter Kratzer, Interface defects and impurities at the growth zone of Au catalyzed GaAs nanowire from first principles, Phys. Status Solidi RRL 7, 882-885 (2013). [doi]
  13. Sung Sakong, Peter Kratzer, Simone Wall, Annika Kalus, and Michael Horn-von Hoegen, Mode conversion and long-lived vibrational modes in lead monolayers on silicon (111) after fs-laser excitation: a molecular dynamics simulation, Phys. Rev. B 88, 115419 (2013). [doi]
  14. Sung Sakong, Johann Gutjahr, and Peter Kratzer, Comparison of density functionals for nitrogen impurities in ZnO, J. Chem. Phys. 138, 234702 (2013). [doi]
  15. Yaojun A. Du, Sung Sakong and Peter Kratzer, As vacancies, Ga antisites, and Au impurities in zincblende and wurtzite GaAs nanowire segments from first principles, Phys. Rev. B 87, 075308 (2013). [doi]
  16. Sung Sakong, Christian Mosch, Ariel Lozano, H. Fabio Busnengo and Axel Gro, Lowering reaction barriers in surface reactions through concerted reaction mechanisms, ChemPhysChem 13, 3467-3471 (2012). [doi] [Inside Cover of Issue 15]
  17. Sanjeev K. Nayak, Markus E. Gruner, Sung Sakong, Shreekantha Sil, Peter Kratzer, Surjyo N. Bhera and Peter Entel, Anisotropic ferromagnetism in carbondoped zinc oxide from first-principles studies, Phys. Rev. B 86, 054441 (2012). [doi]
  18. Volker Pankoke, Sung Sakong and Peter Kratzer, Role of Sidewall Diffusion in GaAs Nanowire Growth: A First-principles Study, Phys. Rev. B 86, 085425 (2012). [doi]
  19. Peter Kratzer, Sung Sakong and Volker Pankoke, Catalytic role of gold nanoparticle in GaAs nanowire growth: a DFT study, Nano Lett. 12, 943-948 (2012). [doi]
  20. Sung Sakong and Peter Kratzer, Isotopic effect on the vibrational lifetime of the carbon-deuterium stretch excitation on graphene, J. Chem. Phys. 135, 114506 (2011). [doi]
  21. Volker Pankoke, Peter Kratzer and Sung Sakong, Calculation of the diameter dependent Polytypism in GaAs Nanowires from an atomic Motif Expansion of the Formation Energy, Phys. Rev. B 84, 075455 (2011). [doi]
  22. Sung Sakong and Peter Kratzer, Density functional study of carbon doping in ZnO, Semicond. Sci. Technol. 26, 014038 (2011). [doi]
  23. Hua Wu, Alessandro Stroppa, Sung Sakong, Silvia Picozzi, Matthias Scheffler and Peter Kratzer, Magnetism in C or N-doped MgO and ZnO: a density-functional study of impurity pairs, Phys. Rev. Lett. 105, 267203 (2010). [doi]
  24. Sung Sakong and Peter Kratzer, Hydrogen vibrational modes on graphene and relaxation of the C-H stretch excitation from first-principles calculations, J. Chem. Phys. 133, 054505 (2010). [doi]
  25. Sung Sakong, Peter Kratzer, Xu Han, Thorsten Balgar and Eckart Hasselbrink, Isotope effects in the vibrational lifetime of hydrogen on germanium(100): Theory and experiment, J. Chem. Phys. 131, 124502 (2009). [doi] [Editor's choices for 2009]
  26. Sung Sakong, Peter Kratzer, Xu Han, Kristian Laß, Oliver Weingart and Eckart Hasselbrink, Density-functional theory study of vibrational relaxation of CO stretching excitation on Si(100), J. Chem. Phys. 129, 174702 (2008). [doi]
  27. A. Bergbreiter, H.E. Hoster, S. Sakong and A. Gro, R.J. Behm, Energetics driving the short-range order in CuxPd1-x/Ru(0001) monolayer surface alloys, Phys. Chem. Chem. Phys. 9, 5127-5132 (2007). [doi]
  28. Sung Sakong and Axel Gro, Total oxidation of methanol on Cu(110): a density functional theory study, J. Phys. Chem. A 111, 8814-8822 (2007). [doi]
  29. Sung Sakong, Christian Mosch and Axel Gro, CO adsorption on Cu-Pd alloy surfaces: ligand versus ensemble effects, Phys. Chem. Chem. Phys. 9, 2216-2225 (2007). [doi]
  30. Sung Sakong, Christian Sendner and Axel Gro, Partial oxidation of methanol on Cu(110): energetics and kinetics, J. Mol. Struct. (Theochem) 771, 117-122 (2006). [doi]
  31. Christian Sendner, Sung Sakong and Axel Gro, Kinetic Monte Carlo simulations of the partial oxidation of methanol on oxygen-covered Cu(110), Surf. Sci. 600, 3258-3265 (2006). [doi]
  32. H.-G. Boyen, P. Ziemann, U. Wiedwald, V. Ivanova, D. M. Kolb, S. Sakong, A. Gro, A. Romanyuk, M. Büttner, P. Oelhafen, Local density of states effects at the metal-molecule interfaces in a molecular device, Nat. Mater. 5, 394-399 (2006). [doi]
  33. Arezoo Dianat, Sung Sakong and Axel Gro, Qantum dynamics of the dissociation of H2 on Rh(111), Eur. Phys. J. B 45, 425-432 (2005). [doi]
  34. Sung Sakong and Axel Gro, Density functional theory study of the partial oxidation of methanol on copper surfaces, J. Catal. 231, 420-429 (2005). [doi]
  35. Sung Sakong and Axel Gro, Dissociative adsorption of hydrogen on strained Cu surfaces, Surf. Sci. 525, 107-118 (2003). [doi]