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R.C.T. Slade

Bio: R.C.T. Slade is an academic researcher from University of York. The author has contributed to research in topics: Proton NMR & Absorption spectroscopy. The author has an hindex of 2, co-authored 2 publications receiving 78 citations.

Papers
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TL;DR: In this paper, the authors reported the NMR relaxation times (T2 T1, and T1ϱ) and absorption spectra for the compounds H1.71MoO3 (red monoclinic) and H0.36MoO 3 (blue orthorhombic) in the temperature range 77 K < T < 450 K.

63 citations

Journal ArticleDOI
TL;DR: In this paper, a structural model based on the occupation of two sites consistent with the space group Cmcm is proposed for pure γ-AIOOH at room temperature and 130K.

16 citations


Cited by
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Journal ArticleDOI
TL;DR: In this article, first-principle density functional calculations were used to simulate several polymorphs with different degrees of hydration, including: gibbsite, bayerite, diaspore, boehmite, and tohdite.
Abstract: Aluminum hydroxides are the precursors of metastable aluminas which are used in many applications in industrial catalysis. They constitute a starting point for the understanding of transition processes and structures of metastable transition aluminas. Using first-principle density functional calculations, several polymorphs with different degrees of hydration are simulated: gibbsite, bayerite, diaspore, boehmite, and tohdite. Optimized structures, including cell parameters, atomic positions, and space groups, are calculated and compared with experimental crystallographic data. In some cases, polymorphic structures were found with different orientations for the hydrogen bonds. The study of thermodynamical stability as a function of temperature allows to point out the main tendencies: the higher the temperature, the lower is the degree of hydration of the thermodynamical stable species. Furthermore, calculated limiting temperatures of stability of the various polymorphs are predicted and compared favorabl...

244 citations

Journal ArticleDOI
TL;DR: In this paper, a theoretical approach for calculating surface energies and interfacial energies of aluminum oxihydroxide boehmite (γ-AlOOH) was developed for four relevant crystallographic planes.

218 citations

Journal ArticleDOI
TL;DR: In this article, the molybdenum oxide monomers, clusters and chains linked by======bpy-bpy groups and represented by the============formulae [M(bpy)-bpy)================== x======

149 citations

Journal ArticleDOI
TL;DR: In this article, a quasi-one-dimensional zig-zag line connecting the vertex-sharing oxygen atoms of the MoO6 octahedra is used to detect interlayer positions coordinated with terminal oxygen atoms at van der Waals gap.
Abstract: 1H NMR solid state techniques have been used to study bonding properties, location, and mobility of hydrogen in various phases of the hydrogen bronze HxMoO3. Temperature‐dependent spectra characteristic of different degrees of intercalation have been observed, and furthermore, from measurements of the relaxation rate, dynamic properties have been derived. There is strong evidence of intralayer hydrogen positions on a quasi‐one‐dimensional zig–zag line connecting the vertex‐sharing oxygen atoms of the MoO6 octahedra and these are first occupied if the degree of intercalation x is low. For x>0.85 the hydrogen in excess starts to fill up interlayer positions coordinated with terminal oxygen atoms at the van der Waals gap. Both isolated and paired protons have been detected in the interlayers, whereas clusters or pairs appear along the zig–zag lines. Hydrogen separations within the clusters, bonding with oxygen and charge transfer to the conduction band of the host lattice, are discussed. Hydrogen diffusion c...

100 citations

Journal ArticleDOI
TL;DR: The hydrothermal reaction of MoO and 4,4′-bipyridine yields a step-layered molybdenum oxide material, a material structurally related to layered materials as mentioned in this paper.

79 citations