Surface chemistry of disordered mackinawite (FeS)
نویسندگان
چکیده
منابع مشابه
Synthesis and Rietveld crystal structure refinement of mackinawite, tetragonal FeS
Mackinawite,tetragonal FeS, has been synthesised by reacting iron with Na2S solutions. A Rietveld structure refinement of X-ray powder diffractipn data, recorded using X-rays monochromated from synchrotron radiationwith a wavelength of 0.6023 A, has been performed. The structure has been refined in the tetragonal sJ'.!lcegroup, P4/nmm, and has the following cell parameters: a = 3.6735(4), c = 5...
متن کاملMackinawite (FeS) Reduces Mercury(II) under Sulfidic Conditions
Mercury (Hg) is a toxicant of global concern that accumulates in organisms as methyl Hg. The production of methyl Hg by anaerobic bacteria may be limited in anoxic sediments by the sequestration of divalent Hg [Hg(II)] into a solid phase or by the formation of elemental Hg [Hg(0)]. We tested the hypothesis that nanocrystalline mackinawite (tetragonal FeS), which is abundant in sediments where H...
متن کاملTransition metal incorporation into 1 mackinawite ( tetragonal FeS )
24 Naturally-occurring mackinawite (tetragonal FeS) with incorporated transition metals 25 is an important precursor to the formation of metal sulfides in ore deposits, but experimental 26 results have not been sufficient to establish clear trends in the structure and stability of the 27 transition-metal-enriched mineral. Using density functional theory with dispersion 28 corrections, we report...
متن کاملReactivity of CO2 on the surfaces of magnetite (Fe3O4), greigite (Fe3S4) and mackinawite (FeS).
The growing environmental, industrial and commercial interests in understanding the processes of carbon dioxide (CO2) capture and conversion have led us to simulate, by means of density functional theory calculations, the application of different iron oxide and sulfide minerals to capture, activate and catalytically dissociate this molecule. We have chosen the {001} and {111} surfaces of the sp...
متن کاملDFT-D2 simulations of water adsorption and dissociation on the low-index surfaces of mackinawite (FeS).
The adsorption and dissociation of water on mackinawite (layered FeS) surfaces were studied using dispersion-corrected density functional theory (DFT-D2) calculations. The catalytically active sites for H2O and its dissociated products on the FeS {001}, {011}, {100}, and {111} surfaces were determined, and the reaction energetics and kinetics of water dissociation were calculated using the clim...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Geochimica et Cosmochimica Acta
سال: 2005
ISSN: 0016-7037
DOI: 10.1016/j.gca.2005.01.027