Effects of hydrogen on the three-dimensional epitaxial growth of Ni(100), (110), and (111)

Article Abstract:

The effects of hydrogen on Ni homoepitaxy are investigated by examining rate constants for mobility of Ni during the Ni-growth process with and without the presence of a small amount of hydrogen impurity. Findings reveal that fast diffusion of H atoms occurs on the flat Ni surfaces and the presence of these highly mobile atoms is found to have significant effects on the mobility of lone Ni adatoms on Ni(100), but not on the Ni(110) and Ni(111) surfaces.

Nickel

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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.

Thermal properties, Chemistry, Physical and theoretical, Physical chemistry, Carbon compounds, Chemical properties, Boron nitride

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Combining electronic structure methods with the calculation of hydrogen vibrational wavefunctions: applications to hydride transfer in liver alcohol dehydrogenase

Article Abstract:

An approach combining the electronic structure methods with hydrogen vibrational wavelength calculations is presented. It analyses the geometrics and electronic molecular orbitals.

Chemistry, Analytic, Analytical chemistry, Electron configuration

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