A chemical, morphological, and electrochemical (XPS, SEM/EDX, CV, and EIS) analysis of electrochemically modified electrode surfaces of natural chalcopyrite (CuFeS2) and pyrite (FeS2) in alkaline solutions

Article Abstract:

Electrodic surfaces of natural chalcopyrite and natural pyrite minerals are studied by cyclic voltammetry, electrochemical impedance spectroscopy, X-ray photoelectron spectroscopy, and scanning electron microscopy including microanalysis. At high oxidation states, both minerals showed a pseudoinductive loop in the equivalent circuit, which was due to the active electrodissolution of the minerals, which takes place through a surface film previously formed.

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Electronic structure study of the high-pressure vibrational spectrum of FeS2 pyrite

Article Abstract:

The pressure dependence of the geometry and tao-point phonons of FeS2 pyrite up to 150 GPa using the plane-wave density functional calculations was investigated. The Raman-active modes were excellent agreement with the experimental data available up to 50 GPa, and predicted the evolution with the pressure of the infrared-active modes for which no high-pressure spectroscopic data were reported.

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Modeling the surface structure and reactivity of pyrite: introducing a potential model for FeS2

Article Abstract:

Atomistic simulation techniques are used to investigate the surface structure, stability and reactivity of pyrite. Further, a potential model for FeS2, which reproduces experimental structural experimental structure parameters, elastic constants and hydration energies of pyrite is developed.

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