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Showing 1 to 4 of 4 for “"oxide cluster"”.

  1. Computational studies of hydrogen storage materials and the development of related methods

    … including density functional theory and the cluster expansion formalism, are used to study materials for hydrogen storage. The storage of molecular hydrogen in the metal-organic framework with formula unit Zn40(02C-C6H6-COD3 is considered. It is predicted that hydrogen adsorbs at five sites …

    mit Repository record for Computational studies of hydrogen storage materials and the development of related methods (opens in a new tab)

  2. Synthesis, Structure, and Characterization of Hybrid Solids Containing Polyoxometalates and Ruthenium Polypyridyl Complexes

    … (POMs), which are inorganic metal oxide cluster anions with discrete structures, have been extensively studied in recent years due to their large variety of applications such as medicine, biology, catalysis, material sciences and chemical analysis. Ruthenium polypyridyl complexes …

    wku-diss Repository record for Synthesis, Structure, and Characterization of Hybrid Solids Containing Polyoxometalates and Ruthenium Polypyridyl Complexes (opens in a new tab)

  3. First-principles studies on oxide nanoclusters in bcc Fe

    … Several materials are developed, amongst them Oxide Dispersion Strengthened (ODS) steels also called Nanostructured Ferritic Alloys (NFA). NFA consist of Fe-Cr based ferritic/martensitic steels that contain highly dispersed nanometer-size Y-Ti-O nanoclusters, and are manufactured via powder …

    qucosa-diss

  4. Thermal and electron stimulated chemistry of complex adsorbates on metal surfaces

    … switchable hetero-polyoxometalate (HPOM) cluster immobilised on a highly polarisable gold surface which has potential as such a device. This cluster consists of a nanometre sized Mo(IV) oxide “shell” which encapsulates two electronically active pyramidal sulfite (SIVO32-) groups, and has …

    glasgow Repository record for Thermal and electron stimulated chemistry of complex adsorbates on metal surfaces (opens in a new tab)