Orbital interactions between a C60 molecule and Cu(111) surface

Article Abstract:

C-Cu orbital interactions between a two-layer Cu10 or three-layer Cu34 cluster model of a Cu(111) surface and an adsorbed single C60 molecule are theoretically analyzed to elucidate the nature of the C60-Cu(111) bonding and orientational configuration of the C60 molecule on a Cu surface. Results reveal that a single C60 molecule must contact a Cu(111) surface preferably by an edge carbon atom located at the center of two six-membered and one five-membered fused rings or by a C-C bond jointing two six-membered rings (6-6 bond).

Molecular structure, Copper, Carbon compounds, Structure, Atomic properties

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Quantum transport effects in copper(II) phthalocyanine sandwiched between gold nanoelectrodes

Article Abstract:

The electrical transmission of copper(II) phthalocyanine (CuPc) sandwiched between gold nanoelectrodes is studied based on the Green function formalism coupled with the Gaussian-broadening technique. It is found that symmetry-matched interactions between CuPc and the gold nanoelectrodes are important to the enhancement of the transmission function and the nanoelectrodes have almost no effect on the electronic states of CuPc.

Primary nonferrous metals, not elsewhere classified, Primary Smelting and Refining of Nonferrous Metal (except Copper and Aluminum), Industrial Organic Chemicals, Gold, Cyclic Crude and Intermediate Manufacturing, Phthalocyanine, Electric properties, Phthalocyanins, Gaussian processes, Chemical properties

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Molecular orbital interactions in the nanostar dendrimer

Article Abstract:

The energy flow and intense light emission of the nanostar dendrimer from the viewpoint of molecular orbital interactions are qualitatively considered. This method in molecular orbital theory helps to understand the light -harvesting function of the nanostar dendrimer and provides a method of reasonable partition of the nanostar dendrimer.

Energy transfer, Light emission, Molecular orbitals

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