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Featured article: Density functional theory modeling of chromate adsorption onto ferrihydrite nanoparticles

In this study, part of the “Frontiers and Advances in Environmental Soil Chemistry” collection in honouring the work of Prof. Donald Sparks, James Kubicki and colleagues, perform DFT calculations on a model of a ferrihydrite nanoparticle interacting with chromate in water. Two configurations each of monodentate and bidentate adsorbed chromate as well as an outer-sphere and a dissolved bichromate were simulated. In addition to the 3-D periodic planewave DFT models, molecular clusters were extracted from the energy-minimized structures.


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A Call for Papers: “Frontiers and Advances in Environmental Soil Chemistry”

We are excited to announce a call for papers for a special issue of Geochemical Transactions in honor of Prof. Donald Sparks: “Frontiers and Advances in Environmental Soil Chemistry”, Guest Edited by Young-Shin Jun, Mengqiang Zhu and Derek Peak.

Invited papers and proposed submissions will highlight important challenges in environmental geochemistry and soil chemistry and will introduce current advances in these areas.

For further information please read the full scope here.

Society affiliations

Geochemical Transactions is the official journal of the Geochemistry Division of the American Chemical Society.

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Aims and scope

Geochemical Transactions publishes high-quality research in all areas of chemistry as it relates to materials and processes occurring in terrestrial and extraterrestrial systems.

The journal coverage includes, but is not limited to:

  • organic geochemistry
  • inorganic geochemistry
  • marine and aquatic chemistry
  • chemical oceanography
  • biogeochemistry
  • applied geochemistry
  • astrobiology
  • environmental geochemistry

Editors' profiles

Greg Druschel is Associate Professor at the Department of Earth Sciences, Indiana University- Purdue University Indianapolis, USA.

Greg's research focus is redox geochemistry and role of microorganisms on S & Fe cycling; P & N speciation/sorption in freshwater lakes; modeling and in vitro studies of lung fluid mineral reactivity.

Yoko Furukawa is a staff geologist at Naval Research Laboratory, Marine Geosciences Division in Stennis Space Center, Mississippi, USA.

Yoko's research focus: surface chemistry and its effect on mineral and organic matter interaction in natural waters; cohesive marine sediment diagenesis.


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