Skip to main content

Advertisement

Springer Nature is making SARS-CoV-2 and COVID-19 research free. View research | View latest news | Sign up for updates

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.

Articles

Collections


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

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

Advertisement

Annual Journal Metrics

Latest Tweets

Advertisement