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Stability, Structure, and Electronic Properties of the Pyrite/Arsenopyrite Solid–Solid Interface–A DFT Study
59/59 checkable references clean · checked 2026-07-24
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The 59 checked references that resolve
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First-principles calculations of the thermodynamic mixing properties of arsenic incorporation into pyrite and marcasite
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Surface characterization of arsenopyrite in acidic medium by triangular scan voltammetry on carbon paste electrodes
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<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>DFT</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:mrow></mml:math>Simulation of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>Ti</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>7</mml:mn></mml:mrow></mml:msub><mml:mtext>−</mml:mtext><mml:mi>Ti</mml:mi><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Interface
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STOICHIOMETRIC ARSENOPYRITE, FeAsS, FROM LA ROCHE-BALUE QUARRY, LOIRE-ATLANTIQUE, FRANCE: CRYSTAL STRUCTURE AND MOSSBAUER STUDY
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Equilibrium and adhesion of Nb/sapphire: The effect of oxygen partial pressure
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Structure, bonding, and adhesion at the ZrC(100)/Fe(110) interface from first principles
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<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>Si</mml:mi><mml:mo>/</mml:mo><mml:mi>Cu</mml:mi></mml:math>Interface Structure and Adhesion
resolves10.1021/jp5005924
Preparation, Structure, and Orientation of Pyrite FeS<sub>2</sub>{100} Surfaces: Anisotropy, Sulfur Monomers, Dimer Vacancies, and a Possible FeS Surface Phase
resolves10.1180/minmag.2011.075.1.45
Investigation of the electronic and geometric structures of the (110) surfaces of arsenopyrite (FeAsS) and enargite (Cu<sub>3</sub>AsS<sub>4</sub>)
resolves10.1016/S0039-6028(02)01849-6
Density-functional theory studies of pyrite FeS2() and () surfaces
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Modeling the Surface Structure and Reactivity of Pyrite: Introducing a Potential Model for FeS<sub>2</sub>
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Phase Stability and Thermoelectric Properties of the Mineral FeS<sub>2</sub>: An Ab Initio Study
resolves10.1016/0191-8141(85)90133-6
Cleavage strain in the Variscan fold belt, County Cork, Ireland, estimated from stretched arsenopyrite rosettes
resolves10.1007/s002690100207
Equation of state, elasticity, and shear strength of pyrite under high pressure
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Electronic structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">FeS</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: The crucial role of electron-lattice interaction
resolves10.1016/0016-7037(95)00081-A
Oxidation of arsenopyrite by air and air-saturated, distilled water, and implications for mechanism of oxidation
resolves10.2138/am-2002-11-1219
XPS evidence for Fe and As oxidation states and electronic states in loellingite (FeAs
<sub>2</sub>
)
resolves10.2138/am-2004-2-319
Identification of pyrite valence band contributions using synchrotron-excited X-ray photoelectron spectroscopy
resolves10.2138/am-2003-8-910
Resonant XPS study of the pyrite valence band with implications for molecular orbital contributions
resolves10.1016/j.gca.2006.09.021
Arsenic incorporation into FeS2 pyrite and its influence on dissolution: A DFT study
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no DOI — not checkedDevelopments in Economic Geology
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