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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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2017

Prof. Donald Sparks: “Frontiers and Advances in Environmental Soil Chemistry” 
Edited by: Young-Shin Jun, Mengqiang Zhu, Derek Peak
Collection published: 19 October 2017

2015

Surface reactivity, mineralogy and environmental significance of Mn oxides
Edited by: Prof Xionghan Feng, Wei Li, Dr Caroline Peacock, Prof Mengqiang Zhu
Collection published: 18 May 2015

Geochemistry of Sulfur
Edited by: Dr Alexey Kamyshny, Dr Greg Druschel
Collection published: 28 April 2015

2014

Mineral and Organic Matter Aggregates in Natural Environments
Collection published: 3 January 2014

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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