Electronic and vibrational properties of thiophene on Si(100)

Article Abstract:

The surface reactions of thiophene on Silicon(100)-2 x 1 are investigated as part of a larger study on the interaction between five-member heterocyclic aromatic molecules and silicon substrates. The growing interest in studying thiophene and its derivatives lies not only in better understanding of the electronic properties of five-membered heteroatom aromatic rings, but in practical realms as well.

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Vibrational modes of double four-member rings of oxygen-bridged silicon and aluminum atoms: a DFT study

Article Abstract:

The vibrational modes of double four-member ring fragments (D4R), where Si and Al occupy tetrahedral sites and M(super +) is a monovalent charge compensating cation, are assigned to the framework vibrations of Linde type A (LTA) zeolites. The normal vibrations that arise from configurations with different Si, Al arrangements are calculated by the B3LYP method.

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Changes in structural and electronic properties of the zeolite framework induced by extraframework Al and La in H-USY and La(x)NaY: A (super 29)Si and (super 27)Al MAS NMR and (super 27)Al MQ MAS NMR study

Article Abstract:

A (super 27)Al 3Q magic angle spinning (MAS), a quantitative (super 27)Al MAS, and a (super 29)Si MAS NMR study is carried out on La(x)NaY and H-USY. The (super 29)Si MAS and (super 27)Al MAS NMR results obtained at high fields (14.1 T) and fast MAS up to 27 kHz made a quantitative assignment possible of the framework and nonframework Al coordinations.

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