| Dissociative adsorption of hydrogen on strained Cu surfaces S Sakong, A Groß Surface science 525 (1-3), 107-118, 2003 | 203 | 2003 |
| The electric double layer at metal-water interfaces revisited based on a charge polarization scheme S Sakong, A Groß The Journal of chemical physics 149 (8), 2018 | 180 | 2018 |
| The structure of water at a Pt (111) electrode and the potential of zero charge studied from first principles S Sakong, K Forster-Tonigold, A Groß The Journal of chemical physics 144 (19), 2016 | 173 | 2016 |
| Ab initio simulations of water/metal interfaces A Groß, S Sakong Chemical Reviews 122 (12), 10746-10776, 2022 | 148 | 2022 |
| Magnetism in C-or N-doped MgO and ZnO: a density-functional study of impurity pairs H Wu, A Stroppa, S Sakong, S Picozzi, M Scheffler, P Kratzer Physical review letters 105 (26), 267203, 2010 | 144 | 2010 |
| Density functional theory study of the electrochemical interface between a Pt electrode and an aqueous electrolyte using an implicit solvent method S Sakong, M Naderian, K Mathew, RG Hennig, A Groß The Journal of chemical physics 142 (23), 2015 | 140 | 2015 |
| Modelling the electric double layer at electrode/electrolyte interfaces A Groß, S Sakong Current Opinion in Electrochemistry 14, 1-6, 2019 | 137 | 2019 |
| The importance of the electrochemical environment in the electro-oxidation of methanol on Pt (111) S Sakong, A Groß ACS catalysis 6 (8), 5575-5586, 2016 | 137 | 2016 |
| Local density of states effects at the metal-molecule interfaces in a molecular device HG Boyen, P Ziemann, U Wiedwald, V Ivanova, DM Kolb, S Sakong, ... Nature materials 5 (5), 394-399, 2006 | 137 | 2006 |
| Density functional theory study of the partial oxidation of methanol on copper surfaces S Sakong, A Groß Journal of Catalysis 231 (2), 420-429, 2005 | 124 | 2005 |
| Water structures at metal electrodes studied by ab initio molecular dynamics simulations A Groß, F Gossenberger, X Lin, M Naderian, S Sakong, T Roman Journal of The Electrochemical Society 161 (8), E3015, 2014 | 97 | 2014 |
| Water structures on a Pt (111) electrode from ab initio molecular dynamic simulations for a variety of electrochemical conditions S Sakong, A Groß Physical Chemistry Chemical Physics 22 (19), 10431-10437, 2020 | 96 | 2020 |
| Total oxidation of methanol on Cu (110): a density functional theory study S Sakong, A Gross The Journal of Physical Chemistry A 111 (36), 8814-8822, 2007 | 96 | 2007 |
| Electronic and structural differences between wurtzite and zinc blende InAs nanowire surfaces: experiment and theory M Hjort, S Lehmann, J Knutsson, AA Zakharov, YA Du, S Sakong, R Timm, ... ACS nano 8 (12), 12346-12355, 2014 | 95 | 2014 |
| CO adsorption on Cu–Pd alloy surfaces: ligand versus ensemble effects S Sakong, C Mosch, A Groß Physical Chemistry Chemical Physics 9 (18), 2216-2225, 2007 | 94 | 2007 |
| Calculation of the diameter-dependent polytypism in GaAs nanowires from an atomic motif expansion of the formation energy V Pankoke, P Kratzer, S Sakong Physical Review B—Condensed Matter and Materials Physics 84 (7), 075455, 2011 | 70 | 2011 |
| Some challenges in the first-principles modeling of structures and processes in electrochemical energy storage and transfer NG Hoermann, M Jäckle, F Gossenberger, T Roman, K Forster-Tonigold, ... Journal of Power Sources 275, 531-538, 2015 | 60 | 2015 |
| Improved DFT adsorption energies with semiempirical dispersion corrections D Mahlberg, S Sakong, K Forster-Tonigold, A Groß Journal of Chemical Theory and Computation 15 (5), 3250-3259, 2019 | 56 | 2019 |
| Hydrogen vibrational modes on graphene and relaxation of the C–H stretch excitation from first-principles calculations S Sakong, P Kratzer The Journal of chemical physics 133 (5), 2010 | 53 | 2010 |
| Density fluctuations as door-opener for diffusion on crowded surfaces AK Henß, S Sakong, PK Messer, J Wiechers, R Schuster, DC Lamb, ... Science 363 (6428), 715-718, 2019 | 45 | 2019 |
Axel GrossInstitute of Theoretical Chemistry, Ulm University, and Helmholtz-Institute Ulm- ElectrochemicalVerified email at uni-ulm.de
