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Periodic study on the structural and electronic properties of bulk, oxidized and reduced SnO2(110) surfaces and the interaction with O-2
(Elsevier B.V., 2002-06-10)
The structural and electronic properties of bulk and both oxidized and reduced SnO2(110) surfaces as well as the adsorption process of O-2 on the reduced surface have been investigated by periodic DFT calculations at B3LYP ...
Periodic study on the structural and electronic properties of bulk, oxidized and reduced SnO2(110) surfaces and the interaction with O-2
(Elsevier B.V., 2002-06-10)
The structural and electronic properties of bulk and both oxidized and reduced SnO2(110) surfaces as well as the adsorption process of O-2 on the reduced surface have been investigated by periodic DFT calculations at B3LYP ...
Modeling ammonia oxidation over a Pt (533) surface
(Elsevier Science, 2012-01)
We present a new reaction model for ammonia oxidation on a Pt (533) surface and perform numerical simulations using mean field equations. Kinetic parameters were taken from experiments and Density Functional Theory (DFT) ...
Periodic study on the structural and electronic properties of bulk, oxidized and reduced SnO2(110) surfaces and the interaction with O-2
(Elsevier Science BvAmsterdamHolanda, 2002)
Kinetic modeling of the leaching of LiCoO2 with phosphoric acid
(Elsevier Science, 2020-11)
In this article, we analyze the leaching kinetics with phosphoric acid of LiCoO2 samples from spent Li-ion batteries and commercial LiCoO2. The purpose was to study the mechanism by which the extraction reaction of cobalt ...