2019
DOI: 10.1016/j.gca.2019.08.011
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Crystal habit-directed gold deposition on pyrite: Surface chemical interpretation of the pyrite morphology indicative of gold enrichment

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Cited by 35 publications
(10 citation statements)
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“…The PBE + U method 42 (U-J = 1.6 eV) was employed to describe the pyritic surfaces with an energy cutoff of 400 eV for plane wave basis. The feasibility of this method has been confirmed by previous studies on pyritic systems 21,43,44 . All atoms in the considered pyrite models were fully relaxed until the forces dropped below 0.01 eV/Å.…”
Section: Methodssupporting
confidence: 56%
See 1 more Smart Citation
“…The PBE + U method 42 (U-J = 1.6 eV) was employed to describe the pyritic surfaces with an energy cutoff of 400 eV for plane wave basis. The feasibility of this method has been confirmed by previous studies on pyritic systems 21,43,44 . All atoms in the considered pyrite models were fully relaxed until the forces dropped below 0.01 eV/Å.…”
Section: Methodssupporting
confidence: 56%
“…Because the partition coefficient of Au(I) between pyrite and the fluid decreases when temperature increases 19,20 , gold nanoparticles exsolved from a solid solution at a relatively high temperature is geologically plausible. A previous experimental study demonstrated that gold ions were readily reduced and deposited as nanoparticles at the pyrite-water interface 21 , hence the gold nanoparticles could also be included in pyrite during crystallization (Fig. 4a).…”
Section: Discussionmentioning
confidence: 92%
“…The simplified Hubbard U correction (GGA+U) method (Dudarev et al 1998) was employed to describe the 3d electrons of Fe element. The parameter U-J= 1.6 eV was employed, and the feasibility of such a parameter was confirmed by previous studies on pyritic systems (Zhang et al 2012;Xian et al 2019bXian et al , 2019aXian et al , 2021.…”
Section: Density Functional Theory Calculationsmentioning
confidence: 66%
“…3c). Therefore, the oxidation rate of microscopic pyrite {111} facets is greater than that of {100} facets, which is caused by the difference in surface properties between the {100} and {111} facets (Zhu et al, 2018;Xian et al, 2019). Regardless of grain size, the exposed crystal facet controls the reactivity of the framboidal pyrite microcrystals.…”
Section: Resultsmentioning
confidence: 99%