Computational Redox Potential Predictions: Applications to Inorganic and Organic Aqueous Complexes, and Complexes Adsorbed to Mineral Surfaces

Computational Redox Potential Predictions: Applications to Inorganic and Organic Aqueous Complexes, and Complexes Adsorbed to Mineral Surfaces

Applications of redox processes range over a number of scientific fields. This review article summarizes the theory behind the calculation of redox potentials in solution for species such as organic compounds, inorganic complexes, actinides, battery materials, and mineral surface-bound-species. Diff...

Full description

Bibliographic Details
Main Authors: Krishnamoorthy Arumugam, Udo Becker
Format: Article
Language:English
Published: MDPI AG 2014-04-01
Series:Minerals
Subjects:
redox potential calculations
density functional theory (DFT) methods
semiconducting minerals
actinides
continuum solvation
mineralogy
Online Access:http://www.mdpi.com/2075-163X/4/2/345

Internet

http://www.mdpi.com/2075-163X/4/2/345

Similar Items