Formation of cobalt hydrides in a high electric field

The interaction between hydrogen and cobalt atoms leading in an external electric field to cobalt hydrides formation is studied both experimentally (with the use of time-of-flight atom-probe field ion microscope) and theoretically (ab initio quantum chemical calculations). It was found that in 15–20...

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Bibliographic Details
Published in:Vacuum 2001-07, Vol.63 (1-2), p.241-248
Main Authors: Białek, Beata, Stȩpień, Zdzisław M
Format: Article
Language:English
Subjects:
Ab initio calculations
Atomic and molecular physics
Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
Cobalt hybrides
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Electron and ion emission by liquids and solids
impact phenomena
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
Field desorption
Field emission, ionization, evaporation, and desorption
Physics
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Summary:The interaction between hydrogen and cobalt atoms leading in an external electric field to cobalt hydrides formation is studied both experimentally (with the use of time-of-flight atom-probe field ion microscope) and theoretically (ab initio quantum chemical calculations). It was found that in 15–20V/nm electric field stable molecules of CoH, CoH2 and CoH3 may be formed through the overlapping of cobalt 3d and hydrogen 1s atomic orbitals. The most probable reaction path was also predicted.
ISSN:0042-207X
1879-2715
DOI:10.1016/S0042-207X(01)00198-1