Search
Now showing items 1-2 of 2
Ab initio molecular dynamics study of the interlayer and micropore structure of aqueous montmorillonite clays
(
Elsevier Ltd
, 2015 , Article)
Ab initio molecular dynamics simulations have been performed to gain an understanding of the interfacial microscopic structure and reactivity of fully hydrated clay edges. The models studied include both micropore and ...
A comparison of the redox properties of vanadia-based mixed oxides
(
American Chemical Society (ACS)
, 2015 , Article)
The thermodynamics of oxidation and reduction were investigated for a series of vanadium-containing oxides, including CeVO4, LaVO 4, ZrV2O7, Mg3(VO4) 2, CrVO4, AlVO4, and V2O 5, in the temperature range between 873 and 973 ...