Research topics

  1. Electrochemistry within density functional theory
  2. Catalytic reactions at metal surfaces
  3. Vibrational relaxations at semiconductor surfaces
  4. Metal catalyzed growth of semiconductor nanowires
  5. Impurities and defects in semiconductors

Electrochemistry within density functional theory

Related publications:
  • Sung Sakong and Axel Gro, Methanol oxidation on Pt(111) from first-principles in heterogeneous and electro-catalysis, Electrocatalysis 8, 577-586 (2017). [doi]
  • 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]
  • 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]
  • 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]
  • 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]
  • 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]
  • 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]