Probing atomic-scale processes at the ferrihydrite-water interface with reactive molecular dynamics
Ardalan Hayatifar,
Simon Gravelle,
Beatriz D. Moreno
et al.
Abstract:Interfacial processes involving metal (oxyhydr)oxide phases often control the mobility and bioavailability of nutrient and contaminant elements in soils, sediments, and water. Consequently, these processes influence ecosystem health and functioning and have shaped the biological and environmental co-evolution of Earth over geologic time. Here we employ reactive molecular dynamics simulations, supported by synchrotron X-ray spectroscopy, to derive accurate surface complexation model constants for ferrihydrite-w… Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.