A theoretical study on the interactions of hydrogen species with various carbon and boron nitride phases

Article Abstract:

Reactivities of hydrogen atom/ions with different carbon and boron nitride (BN) phases are studied by means of frontier orbital theory based on ab initio Hartree-Fock calculations. The results show that there is a significant difference in the reactivity of atomic hydrogen with the sp(super 2) and the sp(super 3) carbon phases such that phase selectivity is facilitated during chemical vapor deposition of diamond.

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Very low-field emission from aligned and opened carbon nanotube arrays

Article Abstract:

Very low field emission that can be obtained from aligned and opened carbon nanotube arrays is described. It can be concluded that the aligned and opened carbon nanotube arrays have excellent field emission performances with the lowest values for turn-on and threshold fields.

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Calcium/poly(9,9-dioctylfuorene) interaction: A theoretical study

Article Abstract:

The geometric and electronic structures of poly(9,9-dicotylfluorene) (PFO) oligomer interacting with Ca atoms are studied. The geometric and electronic structures of complexes between PFO and Ca are revealed by studying their different interactions.

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