Publications by authors named "Eben Dy"

Metal leachate from mine tailings has the potential to release toxic metals into the surrounding environment. A single-step extraction procedure mimicking rainwater and a three-step BCR sequential extraction procedure (acid, reducing and oxidizing conditions) were applied to gold (GMT) and silver (SMT) mine tailings. Major (Al, Ca, Fe, Mg, and Mn) and trace metals were monitored to better understand the mobility and geochemistry of these metals when exposed to various environmental leaching conditions.

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Layered Ni-rich lithium transition metal oxides are promising cathode materials for high-energy-density lithium-ion batteries. These cathodes, however, suffer from rapid performance decay under high-voltage operation. In this work, the electrochemical properties and structural evolution of the LiNi Mn Co O (NMC811) cathode upon high-voltage cycling are investigated.

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Surface/ground waters could be polluted when rain-water and/or snow-melt water infiltrate through waste rock piles at mine sites and dissolve secondary minerals (salts) from rock surfaces. It is important to reduce solute loading by the optimal configuration of waste rock piles. This requires the proper definition and determination of the characteristic properties of waste rock piles in terms of metal leaching and, in particular, rate control mechanisms and scaling laws, and their dependence upon configuration variables.

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The authors investigated the interaction of oxometalloporphyrins (MO(por))--specifically, MoO(por), WO(por), TiO(por), VO(por), and CrO(por)--with O(2) by using first principles calculations. MoO(por) and WO(por) undergo reactions with O(2); on the other hand, TiO(por), VO(por), and CrO(por) do not. Next, they compared the interaction of MoO(por) and WO(por) with O(2).

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We investigate O(2) interaction with various metalloporphyrins (MnP, FeP, CoP, and NiP) using ab initio calculations based on density-functional theory. We discuss the trends in the activation barriers for the O-O bond cleavage in relation to the geometric, vibrational, electronic, and energetic properties of the systems. Whether the lowest unoccupied molecular orbital-highest occupied molecular orbital (LUMO-HOMO) levels of the metalloporphyrins involve the corresponding metal centers depends on the d orbital occupancies of the metals.

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