A systematic study of the structure and bonding of halogens on low-index transition metal surfaces

Article Abstract:

The structure and bonding of halogens on various metal low-index surfaces was studied by means of density functional theory (DFT) calculations using periodic slabs to model the surface. It was seen that periodic trends in bond ionicities and metal -halogen vibrational frequencies are in harmony with data derived in electrochemical environment, indicating that the metal-halogen bonding in vacuum share some features with the electrode metal surface-halogen bonding.

Usage, Density functionals, Density functional theory, Halogens, Halogen elements

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Density-dependent equations of state for metal, nonmetal, and transition states for compressed mercury fluid

Article Abstract:

A presentation of the analytical equations of state for fluid mercury in metal, nonmetal, and in-metal-nonmetal transition states. In addition, investigations of monovalent liquid cesium and rubidium indicate a gradual metal-nonmetal transition near the critical region, a gradual metal-non-metal transition near the critical region, but the properties of this transition for a divalent metal are completely different.

Analysis, Chemistry, Analytic, Analytical chemistry, Mercury compounds

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Photochemical reduction of transition metal substituted heteropoly anions in nonpolar solutions

Article Abstract:

The well-known photoreduction of polyoxometalates by alcohols are exploited to produce the reduced species, which cannot be directly produced electrochemically in nonaqueous solvents. Photochemistry is a reliable means to produce stable reduced transition metal substituted heteropoly tungstates in nonpolar media, where they hold promise as multielectron reduction catalysts.

Primary nonferrous metals, not elsewhere classified, Primary Smelting and Refining of Nonferrous Metal (except Copper and Aluminum), Tungsten, Electric properties, Photochemical research

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