First-principles calculations of the thermodynamic mixing properties of arsenic incorporation into pyrite and marcasite

By M. Reich, U. Becker. 2006

149 citations recorded by the source corpus.

Subfields: Biomedical Engineering, Environmental Chemistry

View Paper: https://www.semanticscholar.org/paper/84abe598fe62796559b344666ee3f62f2ffe75cb

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In Biomedical Engineering

1. R. Hough
2. M. Reich

Citations in the corpus

• Arsenic incorporation into FeS2 pyrite and its influence on dissolution: A DFT study (2007, methodology): “From a computational point of view, Reich and Becker (2006) have investigated the thermodynamic mixing properties of arsenic into pyrite and marcasite using first-principles and Monte Carlo calculations.”
• Trace metal nanoparticles in pyrite (2011, background): “Reich et al. (2006) observed that Au NPs in natural pyrite gradually coalesce during heating to form NPs that grow larger via a process similar to Ostwald ripening.”