A DFT based investigation into the electronic structure and properties of hydride rich rhodium clusters.
Density functional theory has been used to investigate the structures, bonding and properties of a family of hydride rich late transition metal clusters of the type [Rh(6)(PH(3))(6)H(12)](x) (x = 0, +1, +2, +3 or +4), [Rh(6)(PH(3))(6)H(16)](x) (x = +1 or +2) and [Rh(6)(PH(3))(6)H(14)](x) (x = 0, +1...
मुख्य लेखकों: | Brayshaw, S, Green, J, Hazari, N, Weller, A |
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स्वरूप: | Journal article |
भाषा: | English |
प्रकाशित: |
2007
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समान संसाधन
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High hydride count rhodium octahedra: Towards electrochemically switchable hydrogen storage devices
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Holding onto lots of hydrogen: a 12-hydride rhodium cluster that reversibly adds two molecules of H2.
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C-C sigma complexes of rhodium.
द्वारा: Brayshaw, S, और अन्य
प्रकाशित: (2007) -
High hydride count rhodium octahedra, [Rh6(PR3)6H12][BArF4]2: synthesis, structures, and reversible hydrogen uptake under mild conditions.
द्वारा: Brayshaw, S, और अन्य
प्रकाशित: (2006) -
Sequential reduction of high hydride count octahedral rhodium clusters [Rh6(PR3)6H12][BArF4]2: redox-switchable hydrogen storage.
द्वारा: Brayshaw, S, और अन्य
प्रकाशित: (2007)