Regensburg 2016 – scientific programme

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O: Fachverband Oberflächenphysik

O 73: Surface Dynamics: Reactions and Elementary Processes

O 73.11: Poster

Wednesday, March 9, 2016, 18:15–20:30, Poster A

Molecular Level Understanding of the Sorption of the Phosphorus-Containing Compounds on Mineral Surfaces — •Ashour Ahmed and Oliver Kühn — Institute of Physics, University of Rostock, Rostock, Germany.

The future of universal supply with phosphorus (P) fertilizer has got a critical attention that alarmed the public research platforms and also initiated novel ones. Improvement of our understanding to the soil P cycle needs advances in analytical and theoretical methods of investigation. In the current contribution, we are going to explore the optimal quantum-chemical strategy to describe P-related processes at soil mineral surfaces. Since P exhibits a great diversity of inorganic and organic P species, we investigate the different binding motifs and energies of these species at different mineral surfaces using density functional theory. Particular attention is paid to unravel the competition between P- and organic compounds for mineral surface sites in the presence of water.