Ab Initio Simulations of Water/Metal Interfaces

Structures and processes at water/metal interfaces play an important technological role in electrochemical energy conversion and storage, photoconversion, sensors, and corrosion, just to name a few. However, they are also of fundamental significance as a model system for the study of solid-liquid interfaces, which requires combining concepts from the chemistry and physics of crystalline materials and liquids. Particularly interesting is the fact that the water-water and water-metal interactions are of similar strength so that the structures at water/metal interfaces result from a competition between these comparable interactions. Because water is a polar molecule and water and metal surfaces are both…

• CO
  Center of Excellence for Learning in Education, Science and Technology
• DF
  Deutsche Forschungsgemeinschaft

  Awards: GR 1503/39-1, 390874152
• DB
  Dr. Barbara Mez-Starck-Stiftung