QM/MM simulations of organic phosphorus adsorption at the diaspore–water interface-Reference-Cited by-同舟云学术

QM/MM simulations of organic phosphorus adsorption at the diaspore–water interface

Published:2019 Issue:44 Volume:21 Page:24316-24325
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ganta Prasanth B.¹²³⁴^ORCID,Kühn Oliver¹²³⁴⁵^ORCID,Ahmed Ashour A.¹²³⁴⁵^ORCID

Affiliation:

1. Institute of Physics

2. University of Rostock

3. D-18059 Rostock

4. Germany

5. Department of Life, Light, and Matter (LLM)

Abstract

The available phosphorus for plants is mainly affected by the strong binding of phosphates to soil mineral surfaces. Here, we have investigated the molecular mechanisms for this binding process at the surface–water interface by QM/MM MD simulations.

Funder

Deutsche Forschungsgemeinschaft

Bundesministerium für Bildung und Forschung

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP04032C

Reference59 articles.

1. Phosphorus vulnerability: A qualitative framework for assessing the vulnerability of national and regional food systems to the multi-dimensional stressors of phosphorus scarcity

2. Leaching of natural colloids from forest topsoils and their relevance for phosphorus mobility