Three-dimensional solvation structure of ethanol on carbonate minerals

• Hagen Söngen,
• Ygor Morais Jaques,
• Peter Spijker,
• Christoph Marutschke,
• Stefanie Klassen,
• Ilka Hermes,
• Ralf Bechstein,
• Lidija Zivanovic,
• John Tracey,
• Adam S. Foster and
• Angelika Kühnle

Beilstein J. Nanotechnol. 2020, 11, 891–898, doi:10.3762/bjnano.11.74

• reveals a qualitatively similar ethanol arrangement on both carbonates, indicating the general nature of this finding. Keywords: 3D AFM; calcite; ethanol; magnesite; MD simulation; solvation structure; Introduction Sedimentary rocks including the minerals calcite and magnesite are abundant constituents

• obtained to date. Furthermore, no information on the interfacial orientation and binding configuration has been collected experimentally. Here, we report on high-resolution 3D AFM data that reveals both the lateral and the vertical solvation structure at the calcite–ethanol interface in a single data set

• contrast, the second layer then resides on top of the less well-defined layer of ethyl groups. For the magnesite–ethanol interface, we find a remarkably similar solvation structure as for the calcite–ethanol interface in both the AFM data and the MD simulations. This latter result confirms the general