The Experts below are selected from a list of 5700 Experts worldwide ranked by ideXlab platform

Shklyaev Yu.v. - One of the best experts on this subject based on the ideXlab platform.

Sokol V.i. - One of the best experts on this subject based on the ideXlab platform.

Laisheng Wang - One of the best experts on this subject based on the ideXlab platform.

  • Cobalt centred boron molecular drums with the highest coordination number in the cob16 cluster
    Nature Communications, 2015
    Co-Authors: Ivan A Popov, Tian Jian, Gary V Lopez, Alexander I Boldyrev, Laisheng Wang
    Abstract:

    The electron deficiency and strong bonding capacity of boron have led to a vast variety of molecular structures in chemistry and materials science. Here we report the observation of highly symmetric Cobalt-centered boron drum-like structures of CoB16(-), characterized by photoelectron spectroscopy and ab initio calculations. The photoelectron spectra display a relatively simple spectral pattern, suggesting a high symmetry structure. Two nearly degenerate isomers with D8d (I) and C4v (II) symmetries are found computationally to compete for the global minimum. These drum-like structures consist of two B8 rings sandwiching a Cobalt Atom, which has the highest coordination number known heretofore in chemistry. We show that doping of boron clusters with a transition metal Atom induces an earlier two-dimensional to three-dimensional structural transition. The CoB16(-) cluster is tested as a building block in a triple-decker sandwich, suggesting a promising route for its realization in the solid state.

  • Cobalt centred boron molecular drums with the highest coordination number in the cob 16 cluster
    Nature Communications, 2015
    Co-Authors: Ivan A Popov, Tian Jian, Gary V Lopez, Alexander I Boldyrev, Laisheng Wang
    Abstract:

    The electron deficiency and strong bonding capacity of boron have led to a vast variety of molecular structures in chemistry and materials science. Here we report the observation of highly symmetric Cobalt-centered boron drum-like structures of CoB16(-), characterized by photoelectron spectroscopy and ab initio calculations. The photoelectron spectra display a relatively simple spectral pattern, suggesting a high symmetry structure. Two nearly degenerate isomers with D8d (I) and C4v (II) symmetries are found computationally to compete for the global minimum. These drum-like structures consist of two B8 rings sandwiching a Cobalt Atom, which has the highest coordination number known heretofore in chemistry. We show that doping of boron clusters with a transition metal Atom induces an earlier two-dimensional to three-dimensional structural transition. The CoB16(-) cluster is tested as a building block in a triple-decker sandwich, suggesting a promising route for its realization in the solid state.

Sergienko V.s. - One of the best experts on this subject based on the ideXlab platform.

Davydov V.v. - One of the best experts on this subject based on the ideXlab platform.